SCHEMBL2385023

SCHEMBL2385023

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(OC)c(OC)c1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LDHA P00338 1/20 0.42
ACE P12821 1/20 0.40
ECE1 P42892 1/20 0.40
LPAR1 Q92633 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.38
CTSD P07339 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KLK5 Q9Y337 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
SCHEMBL2388329 0.94 FPR2 (0.49) FPR2ITGA4ITGB7MEN1KMT2A
SCHEMBL2386632 0.90 ITGA4 (0.45) ITGA4ITGB7KMT2AACEALDH1A1
SCHEMBL2385817 0.89 KMT2A (0.50) FPR2ITGA4ITGB7MEN1KMT2A
SCHEMBL2388262 0.89 KMT2A (0.45) FPR2ITGA4ITGB7KMT2ALDHA
SCHEMBL2385565 0.88 ITGA4 (0.43) FPR2ITGA4ITGB7ACEALDH1A1
SCHEMBL2385493 0.88 POLB (0.42) ITGA4ITGB7KMT2AACEALDH1A1
SCHEMBL2386899 0.88 ITGA4 (0.53) FPR2ITGA4ITGB7MEN1KMT2A
SCHEMBL2385838 0.88 ITGA4 (0.42) ITGA4ITGB7ACEPPARG
SCHEMBL2387347 0.88 ITGA4 (0.42) ITGA4ITGB7ACEPPARG
SCHEMBL2386831 0.88 ITGA4 (0.47) FPR2ITGA4ITGB7MEN1KMT2A

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 FPR2 3196/4885ITGA4 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.