SCHEMBL2385034

SCHEMBL2385034

CCc1ccc(C[C@H](NN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C(=O)OC)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.45
ITGB7 P26010 2/20 0.45
ACE P12821 1/20 0.43
KLK5 Q9Y337 1/20 0.42
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
POLB P06746 1/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
APP P05067 1/20 0.39
ATM Q13315 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL2385485 0.95 ITGA4 (0.49) ITGA4ITGB7ACEKLK5POLB
SCHEMBL2385838 0.93 ITGA4 (0.42) ITGA4ITGB7ACEPPARAPPARG
SCHEMBL2385571 0.92 ITGA4 (0.44) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2385950 0.92 ITGA4 (0.47) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2388324 0.92 ATM (0.47) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2386710 0.91 KMT2A (0.47) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2385864 0.91 ALDH1A1 (0.48) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2385853 0.90 ITGA4 (0.42) ITGA4ITGB7ACEKLK5POLB
SCHEMBL2387117 0.90 ITGA4 (0.44) ITGA4ITGB7ACEKLK5PPARA
SCHEMBL2385841 0.89 NOS3 (0.48) 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.