SCHEMBL2388349

SCHEMBL2388349

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccc(OC)cc1OC)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 1/20 0.41
CAPN1 P07384 2/20 0.40
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.38
SCN9A Q15858 1/20 0.38
GAA P10253 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2385811 0.94 ITGA4 (0.46) ITGA4ITGB7ALDH1A1ALOX15NPC1
SCHEMBL2385212 0.92 ITGA4 (0.41) ITGA4ITGB7ALDH1A1ALOX15CAPN1
SCHEMBL2386899 0.91 ITGA4 (0.53) ITGA4ITGB7ALDH1A1NPC1MEN1
SCHEMBL2386290 0.90 ALDH1A1 (0.43) ALDH1A1ALOX15NPC1CAPN1KDM4E
SCHEMBL2388262 0.89 KMT2A (0.45) ITGA4ITGB7KMT2A
SCHEMBL2385565 0.88 ITGA4 (0.43) ITGA4ITGB7ALDH1A1ALOX15POLB
SCHEMBL2386831 0.87 ITGA4 (0.47) ITGA4ITGB7ALDH1A1ALOX15CAPN1
SCHEMBL2384488 0.87 ITGA4 (0.42) ITGA4ITGB7ALDH1A1ALOX15CAPN1
SCHEMBL2386632 0.85 ITGA4 (0.45) ITGA4ITGB7ALDH1A1KMT2APOLB
SCHEMBL2385023 0.85 FPR2 (0.47) ITGA4ITGB7ALDH1A1ALOX15MEN1

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 ITGA4 4819/4885ITGB7 4625/4885ALDH1A1 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.