SCHEMBL2385565

SCHEMBL2385565

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1cccc(OC)c1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
POLB P06746 1/20 0.42
FPR2 P25090 1/20 0.41
ACE P12821 2/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MME P08473 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CTSL P07711 1/20 0.39
TP53 P04637 1/20 0.38
KLK5 Q9Y337 1/20 0.38
GPR139 Q6DWJ6 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
SCHEMBL2386802 0.94 POLB (0.46) ITGA4ITGB7POLBFPR2ACE
SCHEMBL2388262 0.92 KMT2A (0.45) ITGA4ITGB7FPR2ACE
SCHEMBL2383086 0.91 ACE (0.49) ACEMMECPA1ACE2
SCHEMBL2386632 0.91 ITGA4 (0.45) ITGA4ITGB7POLBACEALDH1A1
SCHEMBL2385738 0.90 TP53 (0.44) ITGA4ITGB7POLBACEALDH1A1
SCHEMBL2385847 0.89 POLB (0.43) POLBFPR2ACEALDH1A1ALOX15
SCHEMBL2387887 0.89 ITGA4 (0.42) ITGA4ITGB7POLBACEALDH1A1
SCHEMBL2385212 0.89 ITGA4 (0.41) ITGA4ITGB7FPR2ACEALDH1A1
SCHEMBL2385023 0.88 FPR2 (0.47) ITGA4ITGB7FPR2ACEALDH1A1
SCHEMBL2388349 0.88 ITGA4 (0.44) ITGA4ITGB7POLBALDH1A1ALOX15

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 4625/4885POLB 2554/4885

“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.