SCHEMBL2385072

SCHEMBL2385072

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ABCB1 P08183 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
ACE P12821 1/20 0.40
TACR1 P25103 1/20 0.40
PPARG P37231 1/20 0.39
PSMB8 P28062 2/20 0.39
PSMB5 P28074 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
CTSB P07858 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
SCHEMBL2386777 0.93 POLB (0.43) POLBABCB1ALDH1A1ACETACR1
SCHEMBL2387351 0.91 ABCB1 (0.47) POLBABCB1ALDH1A1ALOX15PPARG
SCHEMBL2386712 0.90 ATM (0.49) POLBABCB1ALDH1A1ALOX15TACR1
SCHEMBL2388229 0.89 POLB (0.51) POLBABCB1ALDH1A1ALOX15TACR1
SCHEMBL2388052 0.89 CTSL (0.46) ABCB1ALDH1A1ALOX15ACEPPARG
SCHEMBL2384999 0.88 POLB (0.43) POLBALDH1A1ACEPSMB8PSMB5
SCHEMBL2388163 0.88 NOS2 (0.44) POLBABCB1ALDH1A1ALOX15ATM
SCHEMBL2385464 0.88 TACR1 (0.51) POLBABCB1ALDH1A1ALOX15TACR1
SCHEMBL2386981 0.88 ABCB1 (0.44) POLBABCB1ALDH1A1ALOX15ACE
SCHEMBL2385489 0.87 FPR2 (0.51) ALDH1A1ALOX15PPARG

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 2554/4885ABCB1 3860/4885ALDH1A1 755/4885

“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.