SCHEMBL2990667

SCHEMBL2990667

N[C@@H](Cc1ccc(Nc2nccc3ccncc23)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.43
HSD17B10 Q99714 2/20 0.42
WEE1 P30291 1/20 0.42
PTGS1 P23219 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
XIAP P98170 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
TPH1 P17752 6/20 0.38
CIT O14578 2/20 0.38
GRB2 P62993 1/20 0.38
WNT3A P56704 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL6537407 1.00 SLC7A5 (0.43) SLC7A5HSD17B10WEE1PTGS1ALPI
SCHEMBL7105541 0.92 SLC7A5 (0.42) SLC7A5HSD17B10WEE1PTGS1ALPI
SCHEMBL2986240 0.92 SLC7A5 (0.42) SLC7A5HSD17B10WEE1PTGS1ALPI
SCHEMBL5260061 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC6CITWNT3A
SCHEMBL5260057 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC6CITWNT3A
SCHEMBL7100085 0.87 SLC7A5 (0.49) SLC7A5HSD17B10WEE1PTGS1ALPI
SCHEMBL5147745 0.86 HDAC3 (0.41) HSD17B10HDAC3HDAC1HDAC6TPH1
SCHEMBL5147754 0.82 NPR3 (0.39) HDAC3HDAC1HDAC6WNT3AKDM4E
SCHEMBL5262133 0.80 CIT (0.39) HDAC3HDAC1HDAC6CITEGFR
SCHEMBL5262134 0.80 CIT (0.39) HDAC3HDAC1HDAC6CITEGFR

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
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
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-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-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

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-20070027174-A1 Phenylalanine Enamide Derivatives PAH, HRH3, AGTR2 SLC7A5 942/4885HSD17B10 2359/4885WEE1 2362/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR SLC7A5 1081/4885HSD17B10 2789/4885WEE1 1841/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 SLC7A5 3049/4885HSD17B10 878/4885WEE1 2402/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B SLC7A5 1024/4885HSD17B10 2509/4885WEE1 2344/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH SLC7A5 1667/4885HSD17B10 1822/4885WEE1 2536/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL SLC7A5 2372/4885HSD17B10 524/4885WEE1 3086/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR SLC7A5 1081/4885HSD17B10 2789/4885WEE1 1841/4885

“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.