SCHEMBL2386940

SCHEMBL2386940

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.47
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
ABCB1 P08183 2/20 0.42
TGM2 P21980 1/20 0.41
ALOX15 P16050 1/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
PPARG P37231 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM4A O75164 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ATM Q13315 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 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
SCHEMBL2386887 0.92 ALDH1A1 (0.46) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL2387351 0.92 ABCB1 (0.47) ALDH1A1ABCB1ALOX15PPARGATM
SCHEMBL2385984 0.91 NOS3 (0.48) ALDH1A1ABCB1TGM2ALOX15MDM4
SCHEMBL2385864 0.90 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL2388052 0.89 CTSL (0.46) ALDH1A1ABCB1ALOX15MDM4MDM2
SCHEMBL2386981 0.89 ABCB1 (0.44) ALDH1A1MAPTITGB3ITGA2BABCB1
SCHEMBL2386712 0.89 ATM (0.49) ALDH1A1ITGB3ITGA2BABCB1ALOX15
SCHEMBL2387250 0.88 KMT2A (0.49) KMT2AITGB3ITGA2BABCB1PPARG
SCHEMBL2385887 0.87 PPARG (0.55) ITGB3ITGA2BPPARG
SCHEMBL2386937 0.87 MEN1 (0.44) ALDH1A1MEN1LMNAKMT2AMAPT

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 ALDH1A1 755/4885MEN1 1396/4885LMNA 3492/4885

“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.