SCHEMBL2386632

SCHEMBL2386632

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
ACE P12821 1/20 0.45
MMP8 P22894 1/20 0.43
AKT1 P31749 1/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
APP P05067 1/20 0.41
ELANE P08246 1/20 0.41
HPRT1 P00492 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
KLK5 Q9Y337 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2385838 0.96 ITGA4 (0.42) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2387347 0.96 ITGA4 (0.42) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2385019 0.95 ITGA4 (0.44) ITGA4ITGB7ACEMMP8CTSS
SCHEMBL2385883 0.94 TACR1 (0.43) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2388227 0.94 MME (0.42) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2384179 0.94 ALDH1A1 (0.46) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2385738 0.93 TP53 (0.44) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2388272 0.93 ITGA4 (0.40) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2388262 0.93 KMT2A (0.45) ITGA4ITGB7ACEKMT2AL3MBTL1
SCHEMBL2386629 0.93 ITGA4 (0.41) ITGA4ITGB7ACEMMP8AKT1

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 4625/4885ACE 31/4885

“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.