SCHEMBL2386217

SCHEMBL2386217

COC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccccc1OC)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
OPRK1 P41145 6/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ABCB1 P08183 2/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL2385510 0.93 ALDH1A1 (0.46) ALDH1A1GAAITGA4ITGB7OPRK1
SCHEMBL2384449 0.93 MME (0.49) ALDH1A1GAAITGA4ITGB7OPRK1
SCHEMBL2387785 0.90 ABCB1 (0.43) ALDH1A1GAAITGA4ITGB7ABCB1
SCHEMBL2386926 0.89 ALDH1A1 (0.45) ALDH1A1MAPTALOX15NPC1FPR2
SCHEMBL2387351 0.89 ABCB1 (0.47) ALDH1A1ABCB1ALOX15
SCHEMBL2386586 0.89 ITGA4 (0.56) ALDH1A1GAAITGA4ITGB7OPRK1
SCHEMBL2388080 0.89 ABCB1 (0.42) ALDH1A1GAAOPRK1ABCB1ALOX15
SCHEMBL2388337 0.87 ABCB1 (0.41) ALDH1A1GAAABCB1MMEACE
SCHEMBL2385489 0.86 FPR2 (0.51) ALDH1A1ITGA4ITGB7ALOX15MEN1
SCHEMBL2387250 0.85 KMT2A (0.49) ABCB1KMT2AFPR2

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 755/4885GAA 76/4885ITGA4 4819/4885

“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.