SCHEMBL181399

SCHEMBL181399

O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.60
ITGA4 P13612 16/20 0.60
ITGB7 P26010 4/20 0.60
ITGA2 P17301 1/20 0.60
CA2 P00918 1/20 0.58
ITGA5 P08648 2/20 0.55
ITGAV P06756 1/20 0.53

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
SCHEMBL4625783 1.00 ITGB1 (0.60) ITGB1ITGA4ITGB7ITGA2CA2
SCHEMBL7538961 0.88 ITGB1 (0.73) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL12889768 0.87 ITGB1 (0.49) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL3316636 0.87 ITGB1 (0.49) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL3871718 0.84 OPRM1 (0.51) ITGB1ITGA4ITGB7ITGA2CA2
SCHEMBL299984 0.84 ITGB1 (0.50) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL4066390 0.84 L3MBTL1 (0.69) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL5260042 0.84 ITGB1 (0.60) ITGB1ITGA4ITGB7ITGA2
SCHEMBL5260038 0.84 ITGB1 (0.60) ITGB1ITGA4ITGB7ITGA2
SCHEMBL18068321 0.83 ITGB1 (0.68) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1916241-B1 CRYSTAL OF PHENYLALANINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF AJINOMOTO KK (JP) 2013-06-12 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-8309561-B2 N-(2,6-dichlorobenzoyl)-4-[1-methyl-7-(pyrrolidine-1-ylmethyl)-2,4-quinazoline-dione-3-yl]-L-phenylalanine trifluoroacetate; 4 integrin antagonist; antiinflammatory, anticarcinogenic agent, antiallergent; asthma, psoriasis, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation AJINOMOTO CO., INC. (JP) 2012-11-13 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
EP-2103601-A1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION Ajinomoto Co., Inc. (JP) 2009-09-23 EP disclosed
US-20080108637-A1 CRYSTALS OF PHENYLALANINE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF AJINOMOTO CO., INC. (JP) 2008-05-08 US disclosed
US-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-05-08 US disclosed
EP-1916241-A1 CRYSTAL OF PHENYLALANINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Ajinomoto Co., Inc. (JP) 2008-04-30 EP disclosed
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed
EP-1700850-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-09-13 EP disclosed
US-20060009476-A1 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof AJINOMOTO CO. INC (JP) 2006-01-12 US disclosed
EP-1595870-A1 PROCESS FOR PRODUCING PHENYLALANINE DERIVATIVE HAVING QUINAZOLINEDIONE SKELETON AND INTERMEDIATE FOR THE SAME Ajinomoto Co., Inc. (JP) 2005-11-16 EP disclosed
US-20050222141-A1 Novel phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-10-06 US 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 (5 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-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGB1 10/4885ITGA4 2/4885ITGB7 13/4885
US-20050222141-A1 Novel phenylalanine derivatives ITGB4, ITGA4, ITGAV ITGB1 10/4885ITGA4 2/4885ITGB7 13/4885
US-20080108637-A1 CRYSTALS OF PHENYLALANINE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF PAH, TYR, PEPD ITGB1 4869/4885ITGA4 4848/4885ITGB7 4712/4885
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES PAH, DDC, AADAT ITGB1 4840/4885ITGA4 4848/4885ITGB7 4382/4885
US-20060009476-A1 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof ITGA4, ITGB4, ITGA5 ITGB1 10/4885ITGA4 1/4885ITGB7 5/4885

“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.