SCHEMBL2385452

SCHEMBL2385452

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ACE P12821 3/20 0.42
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
KLK5 Q9Y337 1/20 0.41
CETP P11597 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39
MME P08473 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CTSS P25774 2/20 0.37

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
SCHEMBL2384997 0.94 USP2 (0.43) NOS3NOS1NOS2ACEITGA4
SCHEMBL2384513 0.93 ACE (0.41) NOS3NOS1NOS2ACEITGA4
SCHEMBL2385841 0.92 NOS3 (0.48) NOS3NOS1NOS2ACEITGA4
SCHEMBL2385485 0.90 ITGA4 (0.49) ACEITGA4ITGB7KLK5MEN1
SCHEMBL2387211 0.90 NOS3 (0.43) NOS3NOS1NOS2ACEFPR2
SCHEMBL2387384 0.87 KLK5 (0.46) ACEITGA4ITGB7KLK5MEN1
SCHEMBL2385864 0.86 ALDH1A1 (0.48) NOS3NOS1NOS2ACEITGA4
SCHEMBL2388025 0.86 USP2 (0.42) ACEITGA4ITGB7FPR2ALDH1A1
SCHEMBL2387144 0.86 ITGA4 (0.42) ACEITGA4ITGB7KLK5PPARG
SCHEMBL2385950 0.85 ITGA4 (0.47) ACEITGA4ITGB7KLK5MME

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 NOS3 1030/4885NOS1 1558/4885NOS2 1725/4885

“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.