SCHEMBL2386802

SCHEMBL2386802

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1cccc(OC)c1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
FPR2 P25090 1/20 0.43
ACE P12821 1/20 0.42
KLK5 Q9Y337 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
CTSL P07711 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CACNA1B Q00975 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
SCHEMBL2385565 0.94 ITGA4 (0.43) POLBITGA4ITGB7FPR2ACE
SCHEMBL2386579 0.92 GPR132 (0.48) ITGA4ITGB7ACE
SCHEMBL2386710 0.91 KMT2A (0.47) ITGA4ITGB7FPR2ACEKLK5
SCHEMBL2385485 0.91 ITGA4 (0.49) POLBITGA4ITGB7ACEKLK5
SCHEMBL2386287 0.89 ITGA4 (0.45) ITGA4ITGB7ACEKLK5ALDH1A1
SCHEMBL2386456 0.89 POLB (0.44) POLBITGA4ITGB7ACEKLK5
SCHEMBL2386311 0.88 POLB (0.48) POLBFPR2ACEALDH1A1ALOX15
SCHEMBL2388329 0.88 FPR2 (0.49) ITGA4ITGB7FPR2ACEKLK5
SCHEMBL2386292 0.88 ITGA4 (0.42) POLBITGA4ITGB7ACEKLK5
SCHEMBL2384488 0.87 ITGA4 (0.42) ITGA4ITGB7FPR2ACEKLK5

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 POLB 2554/4885ITGA4 4819/4885ITGB7 4625/4885

“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.