SCHEMBL2986557

SCHEMBL2986557

Cc1cc2ccncc2c(Oc2ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
PTPN1 P18031 3/20 0.47
ACE P12821 2/20 0.46
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
SCN9A Q15858 1/20 0.43
CTSS P25774 7/20 0.41
CTSK P43235 6/20 0.41
CTSB P07858 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
BCL2 P10415 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CTSL P07711 1/20 0.39

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
SCHEMBL6537537 1.00 ITGB3 (0.48) ITGB3ITGA2BPTPN1ACEITGA4
SCHEMBL7264852 0.89 PTPN1 (0.49) ITGB3ITGA2BPTPN1ACEITGA4
SCHEMBL7264856 0.89 PTPN1 (0.49) ITGB3ITGA2BPTPN1ACEITGA4
SCHEMBL5149334 0.84 JAK2 (0.38) ITGB3ITGA2BACEITGA4ITGB1
SCHEMBL7102608 0.84 ITGB3 (0.52) ITGB3ITGA2BPTPN1ACEITGA4
SCHEMBL7102603 0.84 ITGB3 (0.52) ITGB3ITGA2BPTPN1ACEITGA4
Hydrochloric Acid SCHEMBL5262115 0.83 ACE (0.46) ITGB3ITGA2BPTPN1ACEITGA4
SCHEMBL7259872 0.82 SCN9A (0.43) ITGB3ITGA2BPTPN1ACESCN9A
SCHEMBL7259870 0.82 SCN9A (0.43) ITGB3ITGA2BPTPN1ACESCN9A
SCHEMBL31407761 0.80 ITGB3 (0.61) ITGB3ITGA2BPTPN1ACEITGA4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US disclosed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
EP-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
EP-1780201-A2 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R&D Limited (GB) 2007-05-02 EP disclosed
EP-1370531-B1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R&D LTD (GB) 2007-02-28 EP disclosed
US-20070027174-A1 Phenylalanine Enamide Derivatives CELLTECH R&D LIMITED 2007-02-01 US disclosed
US-7122556-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2006-10-17 US disclosed
US-6878718-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2005-04-12 US disclosed
US-20050038084-A1 Phenylalanine enamide derivatives CELLTECH R&D LIMITED 2005-02-17 US disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
US-6545013-B2 Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. CELLTECH R&D LIMITED (GB) 2003-04-08 US disclosed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 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 (7 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 ITGB3 12/4885ITGA2B 53/4885PTPN1 1724/4885
US-20070027174-A1 Phenylalanine Enamide Derivatives PAH, HRH3, AGTR2 ITGB3 41/4885ITGA2B 208/4885PTPN1 1061/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB3 66/4885ITGA2B 266/4885PTPN1 1041/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 ITGB3 8/4885ITGA2B 47/4885PTPN1 1507/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B ITGB3 23/4885ITGA2B 103/4885PTPN1 830/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL ITGB3 91/4885ITGA2B 201/4885PTPN1 646/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB3 66/4885ITGA2B 266/4885PTPN1 1041/4885

“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.