SCHEMBL2384997

SCHEMBL2384997

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
NR1I2 O75469 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL2385452 0.94 NOS3 (0.42) PPARAPPARGFPR2NOS3NOS1
SCHEMBL2388025 0.93 USP2 (0.42) USP2CYP3A4NR1I2ADRB1HTR1A
SCHEMBL2385841 0.92 NOS3 (0.48) PPARAPPARGFPR2NOS3NOS1
SCHEMBL2385865 0.90 GPR34 (0.46) USP2CYP3A4NR1I2ADRB1HTR1A
SCHEMBL2385485 0.89 ITGA4 (0.49) CYP2C9ITGA4ITGB7ACEKLK5
SCHEMBL2386287 0.88 ITGA4 (0.45) NOS2ITGA4ITGB7ACEKLK5
SCHEMBL2386456 0.88 POLB (0.44) PPARAPPARGITGA4ITGB7ACE
SCHEMBL2386802 0.87 POLB (0.46) FPR2ITGA4ITGB7ACEKLK5
SCHEMBL2384513 0.86 ACE (0.41) FPR2NOS3NOS1NOS2ITGA4
SCHEMBL2386292 0.86 ITGA4 (0.42) CYP2C9ITGA4ITGB7ACEKLK5

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 USP2 1262/4885CYP3A4 923/4885NR1I2 4485/4885

“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.