SCHEMBL2385840

SCHEMBL2385840

CCCc1ccc(C[C@H](NN(C(=O)OCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)OC)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.41
CTSL P07711 3/20 0.41
PPARG P37231 1/20 0.41
MME P08473 2/20 0.40
ITGB3 P05106 2/20 0.40
ITGAV P06756 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2388258 0.94 TGM2 (0.43) ABCB1POLBALDH1A1ALOX15KMT2A
SCHEMBL2386914 0.93 MME (0.41) ABCB1KMT2ACTSLPPARGMME
SCHEMBL2387351 0.92 ABCB1 (0.47) ABCB1POLBALDH1A1ALOX15CTSL
SCHEMBL2386981 0.92 ABCB1 (0.44) ABCB1POLBALDH1A1ALOX15PPARG
SCHEMBL2388052 0.90 CTSL (0.46) ABCB1ALDH1A1ALOX15CTSLPPARG
SCHEMBL2386712 0.89 ATM (0.49) ABCB1POLBALDH1A1ALOX15CTSL
SCHEMBL2387250 0.88 KMT2A (0.49) ABCB1KMT2ACTSLPPARGITGB3
SCHEMBL2385571 0.88 ITGA4 (0.44) POLBKMT2ACTSLPPARGMME
SCHEMBL2385887 0.88 PPARG (0.55) PPARGMMEITGB3ACECPA1
SCHEMBL2386937 0.88 MEN1 (0.44) ABCB1ALDH1A1ALOX15KMT2APPARG

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 ABCB1 3860/4885POLB 2554/4885ALDH1A1 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.