SCHEMBL2990959

SCHEMBL2990959

CCC(c1ccc(Nc2nccc3ccncc23)cc1)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
CYP17A1 P05093 1/20 0.36
LATS1 O95835 5/20 0.35
CSNK2A1 P68400 3/20 0.35
LATS2 Q9NRM7 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
NAMPT P43490 1/20 0.34
CYP3A4 P08684 2/20 0.34
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
TRPA1 O75762 1/20 0.33
SREBF2 Q12772 1/20 0.33
FLT4 P35916 1/20 0.33
PRMT1 Q99873 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL5147804 0.94 EGFR (0.38) EGFRCYP17A1LATS1CSNK2A1LATS2
SCHEMBL7260720 0.87 MAPT (0.39) EGFRCSNK2A1CYP3A4CSNK2A2CSNK2B
SCHEMBL5147750 0.80 RAB9A (0.37) CSNK2A1CYP3A4CSNK2A2CSNK2B
SCHEMBL2990961 0.77 TACR1 (0.40) CYP3A4
SCHEMBL2990954 0.77 TACR1 (0.40) CYP3A4
SCHEMBL7144431 0.76 TRPV1 (0.36) LATS1LATS2
SCHEMBL2990963 0.76 CYP17A1 (0.38) EGFRCYP17A1LATS1LATS2ABCG2
SCHEMBL7144436 0.76 TRPV1 (0.36) LATS1LATS2
SCHEMBL3833845 0.75 ITGB1 (0.38) CYP3A4
SCHEMBL2982543 0.75 CTSK (0.41)

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 23 patents — showing the first 20. 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-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP 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-1525204-B1 PHENYLALANINE ENAMIDE DERIVATIVES CELLTECH R&D LTD (GB) 2007-07-18 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
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-6835738-B1 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2004-12-28 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-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 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 (8 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 EGFR 281/4885CYP17A1 529/4885LATS1 2882/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR EGFR 437/4885CYP17A1 1308/4885LATS1 1253/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 EGFR 282/4885CYP17A1 702/4885LATS1 2528/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B EGFR 633/4885CYP17A1 1155/4885LATS1 1211/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH EGFR 582/4885CYP17A1 1265/4885LATS1 1492/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL EGFR 1063/4885CYP17A1 598/4885LATS1 1469/4885
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 EGFR 697/4885CYP17A1 1658/4885LATS1 1463/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR EGFR 437/4885CYP17A1 1308/4885LATS1 1253/4885

“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.