SCHEMBL2384543

SCHEMBL2384543

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1cccc(OCc2ccccc2)c1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 6/20 0.52
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
EPOR P19235 1/20 0.50
GPR34 Q9UPC5 3/20 0.46
PPARG P37231 2/20 0.45
PTPN1 P18031 1/20 0.44
PTGES O14684 1/20 0.44
CMKLR2 P46091 1/20 0.43
CMKLR1 Q99788 1/20 0.43
LTA4H P09960 2/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2386311 0.93 POLB (0.48) GPR132MMEACECPA1ACE2
SCHEMBL2385533 0.92 MME (0.52) GPR132MMEACECPA1ACE2
SCHEMBL2385887 0.91 PPARG (0.55) MMEACECPA1ACE2EPOR
SCHEMBL2386579 0.91 GPR132 (0.48) GPR132MMEACECPA1ACE2
SCHEMBL2387351 0.90 ABCB1 (0.47) PPARG
SCHEMBL2388163 0.89 NOS2 (0.44) GPR132
SCHEMBL2388229 0.88 POLB (0.51) GPR132PPARG
SCHEMBL2385847 0.87 POLB (0.43) GPR132MMEACECPA1ACE2
SCHEMBL2388325 0.86 ABCB1 (0.41) GPR132MMEACECPA1ACE2
SCHEMBL2387250 0.86 KMT2A (0.49) PPARGPTPN1LTA4H

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 GPR132 2175/4885MME 34/4885ACE 31/4885

“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.