SCHEMBL2385865

SCHEMBL2385865

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 1/20 0.46
KIFC1 Q9BW19 2/20 0.45
USP2 O75604 2/20 0.44
CYP3A4 P08684 2/20 0.44
NR1I2 O75469 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL2387211 0.93 NOS3 (0.43) GPR34KIFC1CYP3A4CYP1A2CYP2D6
SCHEMBL2387957 0.93 GPR34 (0.45) GPR34KIFC1USP2CYP3A4NR1I2
SCHEMBL2385984 0.91 NOS3 (0.48) GPR34KIFC1PPARAPPARGTGM2
SCHEMBL2384997 0.90 USP2 (0.43) GPR34KIFC1USP2CYP3A4NR1I2
SCHEMBL2387351 0.88 ABCB1 (0.47) CYP2C9PPARGABCB1
SCHEMBL2388163 0.87 NOS2 (0.44) FPR2NOS2MDM4MDM2ABCB1
SCHEMBL2388229 0.86 POLB (0.51) PPARAPPARGNOS2TACR1ABCB1
SCHEMBL2386953 0.86 MME (0.41) GPR34KIFC1CYP3A4CYP1A2CYP2D6
SCHEMBL2386311 0.85 POLB (0.48) FPR2ABCB1
SCHEMBL2384543 0.85 GPR132 (0.52) GPR34CYP2D6PPARG

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 GPR34 2364/4885KIFC1 4051/4885USP2 1262/4885

“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.