SCHEMBL2386285

SCHEMBL2386285

CCOC(=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 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
PPARG P37231 7/20 0.41
EPHX2 P34913 4/20 0.41
PPARA Q07869 2/20 0.41
CTSL P07711 1/20 0.40
ACE P12821 2/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
MME P08473 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2384513 0.93 ACE (0.41) FPR2NOS3NOS1NOS2ACE
SCHEMBL2384179 0.92 ALDH1A1 (0.46) PPARGEPHX2PPARACTSLACE
SCHEMBL2385841 0.92 NOS3 (0.48) FPR2NOS3NOS1NOS2PPARG
SCHEMBL2386632 0.92 ITGA4 (0.45) CTSLACEITGA4ITGB7L3MBTL1
SCHEMBL2388025 0.92 USP2 (0.42) FPR2PPARGPPARAACEITGA4
SCHEMBL2387347 0.90 ITGA4 (0.42) PPARGPPARACTSLACEITGA4
SCHEMBL2385838 0.90 ITGA4 (0.42) PPARGPPARACTSLACEITGA4
SCHEMBL2386956 0.90 FPR2 (0.45) FPR2NOS3NOS1NOS2PPARG
SCHEMBL2385019 0.89 ITGA4 (0.44) PPARAACEITGA4ITGB7MME
SCHEMBL2388227 0.89 MME (0.42) PPARGPPARACTSLACEITGA4

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 FPR2 3196/4885NOS3 1030/4885NOS1 1558/4885

“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.