SCHEMBL2387250

SCHEMBL2387250

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
FPR2 P25090 1/20 0.49
ATM Q13315 1/20 0.47
PPARG P37231 2/20 0.46
PTPN1 P18031 1/20 0.45
PPARA Q07869 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
LDHA P00338 1/20 0.44
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
LTA4H P09960 1/20 0.43
ABCB1 P08183 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
SCHEMBL2387351 0.93 ABCB1 (0.47) ATMPPARGCTSLCTSSCTSK
SCHEMBL2386647 0.93 KMT2A (0.47) KMT2AFPR2ATMPPARGPTPN1
SCHEMBL2385887 0.93 PPARG (0.55) PPARGPPARAMMP9ITGB3ITGA2B
SCHEMBL2388052 0.91 CTSL (0.46) ATMPPARGCTSLCTSSCTSK
SCHEMBL2386311 0.91 POLB (0.48) FPR2PTPN1ABCB1
SCHEMBL2386712 0.90 ATM (0.49) ATMPPARGCTSLCTSKITGB3
SCHEMBL2386981 0.90 ABCB1 (0.44) ATMPPARGPPARAITGB3ITGA2B
SCHEMBL2386937 0.88 MEN1 (0.44) KMT2AATMPPARGABCB1
SCHEMBL2385840 0.88 ABCB1 (0.42) KMT2AATMPPARGCTSLITGB3
SCHEMBL2385489 0.88 FPR2 (0.51) KMT2AFPR2PPARGMMP2MMP9

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 KMT2A 433/4885FPR2 3196/4885ATM 4397/4885

“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.