SCHEMBL2990963

SCHEMBL2990963

CC[C@@](Cc1ccc(Nc2nccc3ccncc23)cc1)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.38
LATS1 O95835 5/20 0.38
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
IGF1R P08069 1/20 0.35
PTPRB P23467 1/20 0.35
NAMPT P43490 2/20 0.34
SREBF2 Q12772 1/20 0.34
WNT3A P56704 1/20 0.34
LATS2 Q9NRM7 1/20 0.34
BRD4 O60885 1/20 0.33
EGFR P00533 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
P2RX3 P56373 1/20 0.33
SYK P43405 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
SCHEMBL5147808 0.94 LATS1 (0.40) CYP17A1LATS1HDAC3HDAC1HDAC6
SCHEMBL7260724 0.87 EGFR (0.39) HDAC3HDAC1HDAC6EGFR
SCHEMBL31098944 0.81 PTPRB (0.44) HDAC3HDAC1HDAC6PTPRBBRD4
SCHEMBL2990961 0.78 TACR1 (0.40) PTPRBP2RX3
SCHEMBL2990954 0.78 TACR1 (0.40) PTPRBP2RX3
SCHEMBL2990959 0.76 EGFR (0.38) CYP17A1LATS1NAMPTSREBF2LATS2
SCHEMBL2978498 0.76 ITGB3 (0.48) PTPRB
SCHEMBL7104303 0.76 ITGB3 (0.48) PTPRB
SCHEMBL3832801 0.75 ITGB1 (0.35) HDAC3HDAC1HDAC6WNT3A
SCHEMBL3833848 0.75 ITGB1 (0.37) HDAC3HDAC1HDAC6

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 CYP17A1 529/4885LATS1 2882/4885HDAC3 234/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR CYP17A1 1308/4885LATS1 1253/4885HDAC3 459/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 CYP17A1 702/4885LATS1 2528/4885HDAC3 243/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B CYP17A1 1155/4885LATS1 1211/4885HDAC3 384/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH CYP17A1 1265/4885LATS1 1492/4885HDAC3 348/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL CYP17A1 598/4885LATS1 1469/4885HDAC3 462/4885
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 CYP17A1 1658/4885LATS1 1463/4885HDAC3 283/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR CYP17A1 1308/4885LATS1 1253/4885HDAC3 459/4885

“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.