SCHEMBL2385841

SCHEMBL2385841

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
FPR2 P25090 1/20 0.46
ITGA4 P13612 2/20 0.43
ITGB7 P26010 1/20 0.43
PPARG P37231 4/20 0.42
PPARA Q07869 2/20 0.42
CTSL P07711 1/20 0.41
ACE P12821 1/20 0.41
KLK5 Q9Y337 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ITGB1 P05556 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2386285 0.92 FPR2 (0.44) NOS3NOS1NOS2FPR2ITGA4
SCHEMBL2385452 0.92 NOS3 (0.42) NOS3NOS1NOS2FPR2ITGA4
SCHEMBL2385864 0.92 ALDH1A1 (0.48) NOS3NOS1NOS2ITGA4ITGB7
SCHEMBL2385485 0.92 ITGA4 (0.49) ITGA4ITGB7CTSLACEKLK5
SCHEMBL2384997 0.92 USP2 (0.43) NOS3NOS1NOS2FPR2ITGA4
SCHEMBL2385984 0.89 NOS3 (0.48) NOS3NOS1NOS2FPR2PPARG
SCHEMBL2385034 0.89 ITGA4 (0.45) ITGA4ITGB7PPARGPPARACTSL
SCHEMBL2388324 0.89 ATM (0.47) ITGA4ITGB7PPARGPPARACTSL
SCHEMBL2385950 0.89 ITGA4 (0.47) ITGA4ITGB7PPARAACEKLK5
SCHEMBL2386710 0.88 KMT2A (0.47) FPR2ITGA4ITGB7PPARGPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017378-B2 Method for production of optically active biphenylalanine compound or salt or ester thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-13 US disclosed
EP-1980622-B1 METHOD FOR PRODUCTION OF AN OPTICALLY ACTIVE BIPHENYLALANINE COMPOUND OR SALT OR ESTER THEREOF SUMITOMO CHEMICAL CO (JP) 2010-08-18 EP disclosed
US-20090011475-A1 Method For Production of Optically Active Biphenylalanine Compound or Salt or Ester Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 US disclosed
EP-1980622-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE BIPHENYLALANINE COMPOUND OR SALT OR ESTER THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-15 EP 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 (1 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-20090011475-A1 Method For Production of Optically Active Biphenylalanine Compound or Salt or Ester Thereof DNPEP, APEH, PAH NOS3 1030/4885NOS1 1558/4885NOS2 1725/4885

“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.