SCHEMBL2385684

SCHEMBL2385684

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(OC)cc1C)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
CAPN1 P07384 3/20 0.41
FPR2 P25090 1/20 0.39
ABCB1 P08183 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TACR3 P29371 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL2385601 0.95 KMT2A (0.40) KMT2AMEN1ALDH1A1ALOX15CAPN1
SCHEMBL2386926 0.91 ALDH1A1 (0.45) ALDH1A1ALOX15CAPN1FPR2
SCHEMBL2384488 0.89 ITGA4 (0.42) KMT2AMEN1ALDH1A1ALOX15CAPN1
SCHEMBL2388080 0.88 ABCB1 (0.42) ALDH1A1ALOX15ABCB1ATM
SCHEMBL2387250 0.87 KMT2A (0.49) KMT2AFPR2ABCB1PPARGPPARA
SCHEMBL2386311 0.87 POLB (0.48) ALDH1A1ALOX15FPR2ABCB1
SCHEMBL2386290 0.86 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1ALOX15CAPN1
SCHEMBL2387351 0.85 ABCB1 (0.47) ALDH1A1ALOX15ABCB1PPARGATM
SCHEMBL2385212 0.84 ITGA4 (0.41) KMT2AMEN1ALDH1A1ALOX15CAPN1
SCHEMBL2386217 0.84 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1ALOX15FPR2

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 433/4885MEN1 1396/4885ALDH1A1 755/4885

“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.