SCHEMBL2383086

SCHEMBL2383086

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1cccc(OCc2ccccc2)c1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.49
MME P08473 2/20 0.49
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
GPR132 Q9UNW8 5/20 0.47
PTPN1 P18031 2/20 0.43
GPR34 Q9UPC5 2/20 0.42
YAP1 P46937 2/20 0.42
PPARG P37231 1/20 0.41
EPOR P19235 1/20 0.40
CMKLR2 P46091 1/20 0.40
CMKLR1 Q99788 1/20 0.40
CYP2D6 P10635 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PTGES O14684 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 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
SCHEMBL2386579 0.93 GPR132 (0.48) ACEMMECPA1ACE2GPR132
SCHEMBL2907748 0.92 GPR132 (0.51) ACEMMECPA1ACE2GPR132
SCHEMBL2385565 0.91 ITGA4 (0.43) ACEMMECPA1ACE2
SCHEMBL2385533 0.91 MME (0.52) ACEMMECPA1ACE2GPR132
SCHEMBL2387887 0.89 ITGA4 (0.42) ACEPTPN1
SCHEMBL2386632 0.89 ITGA4 (0.45) ACE
SCHEMBL2385738 0.88 TP53 (0.44) ACEPTPN1PPARG
SCHEMBL2385019 0.86 ITGA4 (0.44) ACEMME
SCHEMBL2387227 0.86 ACE (0.41) ACE
SCHEMBL2384695 0.86 ACE (0.48) ACEMMECPA1ACE2PTPN1

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 ACE 31/4885MME 34/4885CPA1 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.