SCHEMBL2386578

SCHEMBL2386578

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccccc1C(C)C)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
ACE P12821 1/20 0.39
KLK5 Q9Y337 2/20 0.39
PPARA Q07869 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
REN P00797 1/20 0.37
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL2387206 0.92 ITGA4 (0.40) ITGA4ITGB7ACEPPARAREN
SCHEMBL2385485 0.90 ITGA4 (0.49) ITGA4ITGB7ACEKLK5CA12
SCHEMBL2388337 0.89 ABCB1 (0.41) ACECA12CA2CA7CA9
SCHEMBL2386839 0.89 ITGA4 (0.47) ITGA4ITGB7ACEKLK5CA12
SCHEMBL2384477 0.88 ITGA4 (0.44) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2386586 0.87 ITGA4 (0.56) ITGA4ITGB7ACEKLK5ALDH1A1
SCHEMBL2387117 0.87 ITGA4 (0.44) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2387144 0.85 ITGA4 (0.42) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2385950 0.85 ITGA4 (0.47) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2385034 0.85 ITGA4 (0.45) ITGA4ITGB7ACEKLK5PPARA

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 4625/4885ACE 31/4885

“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.