SCHEMBL2985149

SCHEMBL2985149

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
ACE P12821 1/20 0.48
ITGA4 P13612 2/20 0.45
ITGB7 P26010 2/20 0.45
PPARA Q07869 8/20 0.44
PPARG P37231 7/20 0.44
PTPN1 P18031 3/20 0.44
PPARD Q03181 2/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL27589044 1.00 ITGB3 (0.48) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL16489174 0.89 KLK5 (0.47) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL5146346 0.87 CYP1A2 (0.46) ITGB3ITGA2BACECTSSCTSK
SCHEMBL16644980 0.87 ITGB3 (0.53) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL11915445 0.86 PPARA (0.50) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL4196625 0.86 CTSS (0.49) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL20422453 0.86 CTSS (0.49) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL11915449 0.86 PPARA (0.50) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL2864718 0.86 ITGAV (0.47) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL2864714 0.86 ITGAV (0.47) ITGB3ITGA2BACEPPARAPPARG

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 15 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
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US 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
EP-1370531-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R & D Limited (GB) 2003-12-17 EP disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 US disclosed
WO-2002068393-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-09-06 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 (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-20070027174-A1 Phenylalanine Enamide Derivatives PAH, HRH3, AGTR2 ITGB3 41/4885ITGA2B 208/4885ACE 620/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB3 66/4885ITGA2B 266/4885ACE 568/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B ITGB3 23/4885ITGA2B 103/4885ACE 625/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH ITGB3 38/4885ITGA2B 220/4885ACE 503/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB3 66/4885ITGA2B 266/4885ACE 568/4885

“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.