SCHEMBL2388262

SCHEMBL2388262

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
FPR2 P25090 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
MMP9 P14780 3/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ACE P12821 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MMP1 P03956 2/20 0.40
LDHA P00338 1/20 0.40

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
SCHEMBL2386710 0.93 KMT2A (0.47) KMT2AFPR2ITGA4ITGB7MMP9
SCHEMBL2386632 0.93 ITGA4 (0.45) KMT2AITGA4ITGB7L3MBTL1ACE
SCHEMBL2385565 0.92 ITGA4 (0.43) FPR2ITGA4ITGB7ACE
SCHEMBL2387347 0.91 ITGA4 (0.42) ITGA4ITGB7L3MBTL1ACEPPARG
SCHEMBL2385838 0.91 ITGA4 (0.42) ITGA4ITGB7ACEPPARGPPARA
SCHEMBL2385019 0.90 ITGA4 (0.44) ITGA4ITGB7ACEPPARA
SCHEMBL2384179 0.89 ALDH1A1 (0.46) KMT2AITGA4ITGB7ACEPPARG
SCHEMBL2388227 0.89 MME (0.42) KMT2AITGA4ITGB7MMP9MMP3
SCHEMBL2385212 0.89 ITGA4 (0.41) KMT2AFPR2ITGA4ITGB7ACE
SCHEMBL2385023 0.89 FPR2 (0.47) KMT2AFPR2ITGA4ITGB7ACE

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 KMT2A 433/4885FPR2 3196/4885ITGA4 4819/4885

“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.