SCHEMBL2386586

SCHEMBL2386586

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccccc1OC)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.56
ITGB7 P26010 2/20 0.56
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
OPRK1 P41145 6/20 0.43
TACR1 P25103 1/20 0.42
ACE P12821 2/20 0.39
KLK5 Q9Y337 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
FPR2 P25090 1/20 0.38
CACNA1B Q00975 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
SCHEMBL7411990 0.96 ITGA4 (0.59) ITGA4ITGB7ALDH1A1GAAOPRK1
SCHEMBL7445887 0.96 ITGA4 (0.59) ITGA4ITGB7ALDH1A1GAAOPRK1
SCHEMBL7389438 0.94 ITGA4 (0.55) ITGA4ITGB7ALDH1A1GAAOPRK1
SCHEMBL2386899 0.93 ITGA4 (0.53) ITGA4ITGB7ALDH1A1GAAOPRK1
SCHEMBL2387711 0.91 ITGA4 (0.48) ITGA4ITGB7ALDH1A1GAAOPRK1
SCHEMBL2387173 0.91 ITGA4 (0.48) ITGA4ITGB7ALDH1A1GAAOPRK1
SCHEMBL2385811 0.91 ITGA4 (0.46) ITGA4ITGB7ALDH1A1GAAMEN1
SCHEMBL2385485 0.91 ITGA4 (0.49) ITGA4ITGB7ALDH1A1ACEKLK5
SCHEMBL2386839 0.90 ITGA4 (0.47) ITGA4ITGB7ALDH1A1GAAACE
SCHEMBL2384477 0.89 ITGA4 (0.44) ITGA4ITGB7ALDH1A1GAAOPRK1

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 ITGA4 4819/4885ITGB7 4625/4885ALDH1A1 755/4885

“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.