SCHEMBL2386579

SCHEMBL2386579

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 5/20 0.48
ACE P12821 2/20 0.48
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
EPOR P19235 1/20 0.47
YAP1 P46937 2/20 0.44
PTPN1 P18031 3/20 0.44
GPR34 Q9UPC5 2/20 0.44
PPARG P37231 1/20 0.43
PTGES O14684 1/20 0.41
CMKLR2 P46091 1/20 0.41
CMKLR1 Q99788 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 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
SCHEMBL2907748 0.94 GPR132 (0.51) GPR132ACEMMECPA1ACE2
SCHEMBL2383086 0.93 ACE (0.49) GPR132ACEMMECPA1ACE2
SCHEMBL2385221 0.92 PPARG (0.52) ACEMMECPA1ACE2EPOR
SCHEMBL2386802 0.92 POLB (0.46) ACEITGA4ITGB7
SCHEMBL2384543 0.91 GPR132 (0.52) GPR132ACEMMECPA1ACE2
SCHEMBL2386287 0.89 ITGA4 (0.45) ACEYAP1PTPN1ITGA4ITGB7
SCHEMBL2385485 0.88 ITGA4 (0.49) ACEITGA4ITGB7
SCHEMBL2386456 0.87 POLB (0.44) ACEPTPN1PPARGITGA4ITGB7
SCHEMBL2385950 0.86 ITGA4 (0.47) ACEMMEITGA4ITGB7
SCHEMBL2385565 0.85 ITGA4 (0.43) ACEMMECPA1ACE2ITGA4

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 2 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
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

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 2175/4885ACE 31/4885MME 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.