SCHEMBL2385533

SCHEMBL2385533

CCOC(=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 18)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
ACE P12821 2/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
GPR132 Q9UNW8 6/20 0.50
GPR34 Q9UPC5 3/20 0.45
PPARG P37231 1/20 0.44
CYP2D6 P10635 1/20 0.42
PTGES O14684 1/20 0.42
EPOR P19235 1/20 0.42
CMKLR2 P46091 1/20 0.42
CMKLR1 Q99788 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 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
SCHEMBL2385847 0.93 POLB (0.43) MMEACECPA1ACE2GPR132
SCHEMBL2384543 0.92 GPR132 (0.52) MMEACECPA1ACE2GPR132
SCHEMBL2388332 0.91 PPARG (0.53) MMEACECPA1ACE2GPR34
SCHEMBL2383086 0.91 ACE (0.49) MMEACECPA1ACE2GPR132
SCHEMBL2385988 0.90 MMP8 (0.44) PPARGLMNAL3MBTL1POLB
SCHEMBL2384511 0.89 NOS2 (0.43) MMEACECPA1ACE2GPR132
SCHEMBL2385104 0.89 POLB (0.50) MMEACECPA1ACE2GPR132
SCHEMBL2386438 0.87 TP53 (0.39) MMEACECPA1ACE2GPR132
SCHEMBL2386777 0.87 POLB (0.43) ACEPPARGLMNAL3MBTL1POLB
SCHEMBL2385924 0.86 TACR1 (0.50) PPARGPOLB

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 MME 34/4885ACE 31/4885CPA1 112/4885

“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.