SCHEMBL2385887

SCHEMBL2385887

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.55
LTA4H P09960 2/20 0.53
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
GPR34 Q9UPC5 3/20 0.49
EPOR P19235 1/20 0.49
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
LAP3 P28838 1/20 0.47
PPARA Q07869 1/20 0.46

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
SCHEMBL2387250 0.93 KMT2A (0.49) PPARGLTA4HITGB3ITGA2BMMP9
SCHEMBL2387351 0.92 ABCB1 (0.47) PPARG
SCHEMBL2388332 0.92 PPARG (0.53) PPARGLTA4HMMEACECPA1
SCHEMBL2384543 0.91 GPR132 (0.52) PPARGLTA4HMMEACECPA1
SCHEMBL2388052 0.90 CTSL (0.46) PPARGMMEACE
SCHEMBL2385221 0.90 PPARG (0.52) PPARGLTA4HMMEACECPA1
SCHEMBL2386981 0.89 ABCB1 (0.44) PPARGMMEACECPA1ACE2
SCHEMBL2386712 0.89 ATM (0.49) PPARGITGB3ITGA2B
SCHEMBL2386937 0.88 MEN1 (0.44) PPARG
SCHEMBL2385840 0.88 ABCB1 (0.42) PPARGMMEACECPA1ACE2

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 PPARG 4507/4885LTA4H 438/4885MME 34/4885

“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.