SCHEMBL295783

SCHEMBL295783

COC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.53
ITGA4 P13612 12/20 0.53
ITGB7 P26010 4/20 0.53
ITGA2 P17301 1/20 0.53
ITGA5 P08648 3/20 0.51
LNPEP Q9UIQ6 1/20 0.50
NOS2 P35228 2/20 0.49
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
PSMB5 P28074 1/20 0.48
ATM Q13315 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1240417 1.00 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2ITGA5
Hydrochloric Acid SCHEMBL7391192 0.99 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL27542813 0.93 ITGB1 (0.60) ITGB1ITGA4ITGB7ITGA2LNPEP
SCHEMBL6639882 0.93 ITGB1 (0.60) ITGB1ITGA4ITGB7ITGA2LNPEP
SCHEMBL28742825 0.91 ITGB1 (0.46) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL28742827 0.91 ITGB1 (0.46) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL28032876 0.89 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL370312 0.89 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL13726463 0.89 ATM (0.59) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL3819618 0.89 TSHR (0.57) ITGB1ITGA4ITGB7ITGA2ITGA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
EP-1595870-B1 PROCESS FOR PRODUCING PHENYLALANINE DERIVATIVE HAVING QUINAZOLINEDIONE SKELETON AND INTERMEDIATE FOR THE SAME AJINOMOTO KK (JP) 2015-09-23 EP disclosed
EP-1700850-B1 Phenylalanine derivative AJINOMOTO KK (JP) 2015-07-15 EP disclosed
EP-2803667-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2014-11-19 EP disclosed
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
EP-2615087-A2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2013-07-17 EP disclosed
US-8318975-B2 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof AJINOMOTO CO., INC. (JP) 2012-11-27 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 US disclosed
EP-1700850-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-09-13 EP disclosed
US-20020035127-A1 Phenylalanine derivatives CELLTECH THERAPEUTIS, LIMITED 2002-03-21 US disclosed
US-6329372-B1 HETEROCYCLIC AMIDE COMPOUNDS ARE ABLE TO INHIBIT THE BINDING OF ALPHA4 INTEGRINS TO THEIR LIGANDS AND ARE OF USE IN THE PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS. CELLTECH THERAPEUTICS LIMITED (GB) 2001-12-11 US disclosed
EP-1051399-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 2000-11-15 EP disclosed
WO-1999037618-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGB1 2/4885ITGA4 27/4885ITGB7 28/4885
US-20020035127-A1 Phenylalanine derivatives PAH, VCAM1, IL4I1 ITGB1 8/4885ITGA4 5/4885ITGB7 25/4885
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE ITGB1, ITGA1, ITGAV ITGB1 1/4885ITGA4 10/4885ITGB7 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.