SCHEMBL2385019

SCHEMBL2385019

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
ACE P12821 7/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
BACE1 P56817 1/20 0.41
MME P08473 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
PPARA Q07869 1/20 0.40
MMP8 P22894 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
SCHEMBL2386632 0.95 ITGA4 (0.45) ITGA4ITGB7ACECTSSCTSK
SCHEMBL2387347 0.93 ITGA4 (0.42) ITGA4ITGB7ACECTSSCTSK
SCHEMBL2385838 0.93 ITGA4 (0.42) ITGA4ITGB7ACECTSSCTSK
SCHEMBL2385950 0.92 ITGA4 (0.47) ITGA4ITGB7ACECTSSCTSK
SCHEMBL2387887 0.91 ITGA4 (0.42) ITGA4ITGB7ACECTSSCTSK
SCHEMBL2384179 0.91 ALDH1A1 (0.46) ITGA4ITGB7ACECTSSCTSK
SCHEMBL2388227 0.91 MME (0.42) ITGA4ITGB7ACECTSSCTSK
SCHEMBL2388262 0.90 KMT2A (0.45) ITGA4ITGB7ACEPPARA
SCHEMBL2388272 0.90 ITGA4 (0.40) ITGA4ITGB7ACECTSSCTSK
SCHEMBL2385493 0.89 POLB (0.42) ITGA4ITGB7ACECTSSMMP8

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.