SCHEMBL2386953

SCHEMBL2386953

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
TACR1 P25103 11/20 0.40
GPR34 Q9UPC5 1/20 0.40
FPR2 P25090 1/20 0.39
KIFC1 Q9BW19 1/20 0.39
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL2387957 0.94 GPR34 (0.45) TACR1GPR34FPR2KIFC1TP53
SCHEMBL2386956 0.93 FPR2 (0.45) MMEACECPA1ACE2TACR1
SCHEMBL2387211 0.93 NOS3 (0.43) MMEACECPA1ACE2TACR1
SCHEMBL2384513 0.90 ACE (0.41) MMEACECPA1ACE2TACR1
SCHEMBL2385988 0.89 MMP8 (0.44) TACR1TP53ALDH1A1LMNAPOLB
SCHEMBL2385924 0.88 TACR1 (0.50) TACR1TP53ALDH1A1POLBKMT2A
SCHEMBL2385865 0.86 GPR34 (0.46) TACR1GPR34FPR2KIFC1CYP1A2
SCHEMBL2386887 0.86 ALDH1A1 (0.46) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL2387926 0.85 PPARG (0.42) MMEACECPA1ACE2TACR1
SCHEMBL2387334 0.85 CTSL (0.45) MMEACE

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 MME 34/4885ACE 31/4885CPA1 112/4885

“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.