SCHEMBL2386956

SCHEMBL2386956

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CTSL P07711 2/20 0.43
CTSK P43235 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PPARG P37231 5/20 0.42
EPHX2 P34913 1/20 0.42
PPARA Q07869 2/20 0.41
GPR34 Q9UPC5 1/20 0.41
MGLL Q99685 1/20 0.40
KIFC1 Q9BW19 1/20 0.40
TGM2 P21980 1/20 0.40
P2RX7 Q99572 1/20 0.40
PPARD Q03181 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2386953 0.93 MME (0.41) FPR2MMEACECPA1ACE2
SCHEMBL2385984 0.92 NOS3 (0.48) FPR2MMEACECPA1ACE2
SCHEMBL2387957 0.92 GPR34 (0.45) FPR2PPARGPPARAGPR34MGLL
SCHEMBL2386887 0.91 ALDH1A1 (0.46) CTSLPPARGEPHX2PPARATGM2
SCHEMBL2385988 0.91 MMP8 (0.44) CTSLCTSKPPARGL3MBTL1TACR1
SCHEMBL2386285 0.90 FPR2 (0.44) FPR2MMEACECPA1ACE2
SCHEMBL2387334 0.89 CTSL (0.45) MMEACECTSLCTSKPPARG
SCHEMBL2387926 0.89 PPARG (0.42) MMEACECPA1ACE2CTSL
SCHEMBL2385964 0.89 ATM (0.43) MMEACECPA1ACE2CTSL
SCHEMBL2386914 0.87 MME (0.41) MMEACECPA1ACE2CTSL

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 FPR2 3196/4885MME 34/4885ACE 31/4885

“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.