SCHEMBL2386777

SCHEMBL2386777

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(C)c(C)c1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ACE P12821 1/20 0.39
TACR1 P25103 1/20 0.39
PPARG P37231 1/20 0.39
TP53 P04637 1/20 0.39
ABCB1 P08183 1/20 0.39
PSMB8 P28062 2/20 0.39
PSMB5 P28074 2/20 0.39
CTSL P07711 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP8 P22894 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL2385072 0.93 POLB (0.44) POLBITGB3ITGAVACETACR1
SCHEMBL2385988 0.92 MMP8 (0.44) POLBTACR1PPARGTP53ABCB1
SCHEMBL2385964 0.90 ATM (0.43) POLBITGB3ACETACR1PPARG
SCHEMBL2387926 0.90 PPARG (0.42) ITGB3ACETACR1PPARGTP53
SCHEMBL2387334 0.90 CTSL (0.45) ACEPPARGABCB1CTSLMMP8
SCHEMBL2384511 0.89 NOS2 (0.43) POLBITGB3ITGAVACETACR1
SCHEMBL2385104 0.89 POLB (0.50) POLBITGB3ITGAVACETACR1
SCHEMBL2385493 0.89 POLB (0.42) POLBACETP53PSMB8PSMB5
SCHEMBL2386914 0.88 MME (0.41) ITGB3ITGAVACEPPARGABCB1
SCHEMBL2385924 0.88 TACR1 (0.50) POLBTACR1PPARGTP53ABCB1

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 2554/4885ITGB3 4770/4885ITGAV 4797/4885

“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.