SCHEMBL2388052

SCHEMBL2388052

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
TSHR P16473 1/20 0.46
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46
ABCB1 P08183 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
MME P08473 2/20 0.44
ELANE P08246 1/20 0.44
ECE1 P42892 1/20 0.43
MIF P14174 1/20 0.43
PPARG P37231 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ACE P12821 3/20 0.42
FOLH1 Q04609 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2387351 0.95 ABCB1 (0.47) CTSLCTSBCTSSCTSKABCB1
SCHEMBL2386981 0.92 ABCB1 (0.44) ABCB1ALDH1A1ALOX15MMEPPARG
SCHEMBL2386712 0.92 ATM (0.49) CTSLCTSKABCB1ALDH1A1ALOX15
SCHEMBL2387250 0.91 KMT2A (0.49) CTSLCTSSCTSKABCB1PPARG
SCHEMBL2387334 0.91 CTSL (0.45) CTSLCTSBCTSSCTSKTSHR
SCHEMBL2385840 0.90 ABCB1 (0.42) CTSLABCB1ALDH1A1ALOX15MME
SCHEMBL2385887 0.90 PPARG (0.55) MMEPPARGACE
SCHEMBL2386937 0.90 MEN1 (0.44) TSHRABCB1ALDH1A1ALOX15PPARG
SCHEMBL2388163 0.90 NOS2 (0.44) MDM4MDM2ABCB1ALDH1A1ALOX15
SCHEMBL2386940 0.89 ALDH1A1 (0.48) MDM4MDM2ABCB1ALDH1A1ALOX15

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 CTSL 238/4885CTSB 222/4885CTSS 206/4885

“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.