SCHEMBL2983601

SCHEMBL2983601

CCCCCCC1=C(O)C(C)(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.45
MPEG1 Q2M385 9/20 0.45
XIAP P98170 2/20 0.45
GPR84 Q9NQS5 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
PTGES O14684 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
KAT2B Q92831 1/20 0.45

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
SCHEMBL5931939 0.91 ALOX5 (0.43) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL2981062 0.73 ALDH1A1 (0.39) ALOX5MPEG1ALDH1A1MAPTTDP1
SCHEMBL7365320 0.71 ALOX5 (0.65) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL11086905 0.69 ALOX5 (0.49) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL1535483 0.69 ALOX5 (0.49) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL11081517 0.69 ALOX5 (0.49) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL11080211 0.69 ALOX5 (0.49) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL4309680 0.69 ALOX5 (0.49) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL28192948 0.69 ALOX5 (0.49) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL28642404 0.69 ALDH1A1 (0.48) ALOX5MPEG1XIAPGPR84KDM4E

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
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 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
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 (6 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 ALOX5 2829/4885MPEG1 1930/4885XIAP 2719/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ALOX5 2629/4885MPEG1 2164/4885XIAP 2189/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B ALOX5 2340/4885MPEG1 2081/4885XIAP 2243/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH ALOX5 1759/4885MPEG1 2358/4885XIAP 1585/4885
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 ALOX5 843/4885MPEG1 1827/4885XIAP 2925/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ALOX5 2629/4885MPEG1 2164/4885XIAP 2189/4885

“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.