Verdasys, Inc.

Neogenesis Drug Discovery, Inc.

Neogenesis, Inc.

Schering Corporation

Neogenesis Pharmaceuticals, Inc.

Seth N Birnbaum

Dwayne A Carson

Nicholas Stamos

Donato Buccella

Edward A Wintner

Huw M Nash

Satish Jindal

Krishna Kalghatgi

Tomas Revesz, Jr

Keith A MacDonald

William E Fletcher

Andrew N Tyler

D Allen Annis

Mark Birnbaum

Leonard Halio

Luis M Fernandes

A technique for establishing a perimeter of accountability for usage of digital assets such as data files. The accountability model not only tracks authorized users' access to files, but monitors passage of such files to uncontrollable removable storage media or through network connections and the like which may indicate possible abuse of access. In accordance with a preferred embodiment, an autonomous independent agent process running at a point of use, such as in the background of a client operating system kernel, interrupts requests for access to resources. The agent process senses low level system events, filters, aggregates them, and makes reports to a journaling server. The journaling server analyzes sequences of low level events to detect when aggregate events of interest occur, such as 'FileEdit', network file transfers and the like. Reports can be generated to provide an understanding of how digital assets have been accessed, used or communicated by individuals in an enterprise.

Digital asset usage accountability via event journaling

A technique for establishing usage control over digital assets such as computer files. The system model not only tracks authorized users' access to files, but monitors passage of such files to uncontrollable removable storage media or through network connections and the like which may indicate possible abuse of access rights. In accordance with a preferred embodiment, an autonomous independent agent process running at a point of use, such a background process in a client operating system kernel, interrupts requests for access to resources. The agent process senses low level system events, filters, and aggregates them. A policy engine analyzes sequences of aggregate events to determine when policy violations occur.

Managed distribution of digital assets

A data processing application logging, recording, and reporting process and infrastructure. Compliance with regulatory directives such as HIPAA, internal organizational and corporate, personal information privacy, and other security policies can thus be enforced without the need to recode legacy application software. In one preferred embodiment, a core agent process provides 'listener' functionality that captures user input events, such as keyboard and mouse interactions, between a user and a legacy application of interest. The agent obtains instructions for how to deal with such events, accessing information that describes the application's behavior as already captured by an application profiler tool. Keyboard and mouse data entry sequences, screen controls and fields of interest are tagged during application profiling process. This data is stored in application profile developed for each mode of a legacy application. The technique can be implemented in various Information Technology (IT) environments including mainframe/terminal applications and/or client/server applications. Thus, full coverage of 'fat' client, &#x201c;thin&#x201d; client, and legacy &#x201c;mainframe&#x201d; applications can be provided with a common approach across an enterprise.

Application instrumentation and monitoring

The present invention provides a method for identifying a member of a mass-coded combinatorial library which is a ligand for biomolecule and assessing the effect of the binding of the ligand to the biomolecule. The mass-coded molecular library comprises compounds of the general formula XY, wherein n is an integer from 2 to about 6, X is a scaffold and each Y is, independently, a peripheral moiety. The mass-coded combinatorial library is produced by reacting a scaffold precursor with a sufficient number of distant peripheral moiety precursors such that there exist at least about 250 distinct combinations of n peripheral moieties derived from the peripheral moiety precursors.

Method for producing and screening mass-coded combinatorial libraries for drug discovery and target validation

The present invention provides an apparatus for producing a mass-coded combinatorial library comprising a set of compounds having the general formula X(Y) , where X is a scaffold, each Y is, independently, a peripheral moiety, and n is an integer greater than 1. The apparatus comprises a digital processor assembly for selecting a peripheral moiety precursor subset from a peripheral moiety precursor set. The subset includes a sufficient number of peripheral moiety precursors that at least about 50 distinct combinations of n peripheral moieties derived from the peripheral moiety precursors in the subset exist. The subset of peripheral moiety precursors is selected so that at least about 90% of all possible combinations of n peripheral moieties derived from the subset have a molecular mass sum which is distinct from the molecular mass sums of all of the other combinations of n peripheral moieties. Methods of use of the mass-coded combinatorial library produced by this apparatus are also disclosed.

The present invention provides a method for producing a mass-coded combinatorial library comprising a set of compounds having the general formula X(Y) , where X is a scaffold, each Y is, independently, a peripheral moiety, and n is an integer greater than 1. The method comprises selecting a peripheral moiety precursor subset from a peripheral moiety precursor set. The subset includes a sufficient number of peripheral moiety precursors that at least about 50 distinct combinations of n peripheral moieties derived from the peripheral moiety precursors in the subset exist. The subset of peripheral moiety precursors is selected so that at least about 90% of all possible combinations of n peripheral moieties derived from the subset have a molecular mass sum which is distinct from the molecular mass sums of all of the other combinations of n peripheral moieties. The method further comprises contacting the peripheral moiety precursor subset with a scaffold precursor which has n reactive groups. Methods of use of the mass-coded combinatorial library produced by this method for identifying a ligand to a particular biomolecule are also disclosed.

A technique for automatically analyzing mass spectrographic data from mixtures of chemical compounds has a series of screens designed to eliminate or reduce incorrect peak identifications due to background noise, system resolution, system contamination, multiply charged ions and isotope substitutions. With such a technique, mass spectrograph data analysis may be greatly simplified by the identification of probable spurious signals, and analysis will become simpler and more accurate.

Method for identifying compounds in a chemical mixture

The present invention provides a method for producing a mass-coded combinatorial library comprising a set of compounds having the general formula X(Y),, where X is a scaffold, each Y is, independently, a peripheral moiety, and n is an integer greater than 1. The method comprises selecting a peripheral moiety precursor subset from a peripheral moiety precursor set. The subset includes a sufficient number of peripheral moiety precursors that at least about 50 distinct combinations of n peripheral moieties derived from the peripheral moiety precursors in the subset exist. The subset of peripheral moiety precursors is selected so that at least about 90% of all possible combinations of n peripheral moieties derived from the subset have a molecular mass sum which is distinct from the molecular mass sums of all of the other combinations of n peripheral moieties. The method further comprises contacting the peripheral moiety precursor subset with a scaffold precursor which has n reactive groups. Methods of use of the mass-coded combinatorial library produced by this method for identifying a ligand to a particular biomolecule are also disclosed.

Method for producing and screening mass coded combinatorial libraries for drug discovery and target validation

A technique for automatically analyzing mass spectrographic data from mixtures of chemical compounds is described consisting a series of screens designed to eliminate or reduce incorrect peak identifications due to background noise, system resolution, system contamination, multiply charged ions and isotope substitutions. The technique performs a mass spectrum operation on a control sample, producing a first group of output values. Next, perform a mass spectrographic operation on a sample to be analyzed, producing a second group of output values. Select a first m/z ratio for a material expected to be present in the mixture from a predetermined library of calculated mass spectrometer output spectrums and subtract the value of the control sample at the expected output value from the value of the analyzed sample, and compare the difference to a predetermined value. If the value is greater than the predetermined value thus indicating that the signal is above the background noise level, generating a record at that m/z value for an expected material. Performing the same mass spectrum operation several times to eliminate random noise and background contamination. Next, identify peak values that don't have the expected peak width or proper retention time for the separation method. Identify multiply charged ions by examining peak separation. Examine the m/z location of the expected material and compare intensity at the expected m/z location with the intensity at the next lower m/z recorded peak to identify peaks related to atomic isotope substitution. With such a technique, mass spectrograph data analysis may be greatly simplified by the identification of probable spurious signals, and analysis will become simpler and more accurate.

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Boston, MA, United States of America

Seth N Birnbaum