SCHEMBL2991512

SCHEMBL2991512

COc1cc(C[C@H](N)C(=O)O)cc(OC)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
TPH1 P17752 4/20 0.51
GRIA2 P42262 1/20 0.49
LDHA P00338 1/20 0.47

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
SCHEMBL3833206 0.89 ALDH1A1 (0.51) SLC7A5TPH1LDHA
SCHEMBL3835529 0.87 TPH1 (0.45) TPH1LDHA
SCHEMBL22190064 0.83 GRIA2 (0.60) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7349516 0.83 TPH1 (0.57) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7349532 0.83 TPH1 (0.57) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22190065 0.83 GRIA2 (0.60) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7227087 0.83 ITGB1 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5162726 0.83 ITGB1 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3833211 0.82 ITGB1 (0.50) LDHA
Hydrochloric Acid SCHEMBL5159881 0.82 ITGB1 (0.55) SLC7A5ALPIPKMPTGS1XIAP

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 14 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
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 SLC7A5 942/4885ALPI 1285/4885PKM 1489/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR SLC7A5 1081/4885ALPI 1471/4885PKM 1013/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B SLC7A5 1024/4885ALPI 1700/4885PKM 1537/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH SLC7A5 1667/4885ALPI 1734/4885PKM 1945/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR SLC7A5 1081/4885ALPI 1471/4885PKM 1013/4885

“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.