SCHEMBL2386887

SCHEMBL2386887

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
TGM2 P21980 1/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 1/20 0.40
ABCB1 P08183 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
CTSL P07711 1/20 0.38
MMP8 P22894 1/20 0.38
EPHX2 P34913 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
SCHEMBL2386940 0.92 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL2385988 0.92 MMP8 (0.44) ALDH1A1LMNAPPARGABCB1CTSL
SCHEMBL2386956 0.91 FPR2 (0.45) TGM2PPARGPPARACTSLEPHX2
SCHEMBL2384179 0.90 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL2387926 0.90 PPARG (0.42) MAPTITGB3ITGA2BPPARGPPARA
SCHEMBL2385964 0.90 ATM (0.43) ITGB3ITGA2BPPARGABCB1CTSL
SCHEMBL2387334 0.90 CTSL (0.45) PPARGABCB1CTSLMMP8
SCHEMBL2386914 0.88 MME (0.41) KMT2AITGB3PPARGABCB1CTSL
SCHEMBL2386647 0.87 KMT2A (0.47) KMT2AITGB3ITGA2BPPARGPPARA
SCHEMBL2388332 0.87 PPARG (0.53) LMNAITGB3ITGA2BPPARGPPARA

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 ALDH1A1 755/4885MAPT 3224/4885KMT2A 433/4885

“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.