SCHEMBL2386629

SCHEMBL2386629

CCOC(=O)[C@H](Cc1ccccc1)N(N[C@@H](Cc1ccccc1C)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
JAK2 O60674 1/20 0.40
S1PR4 O95977 1/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACE P12821 2/20 0.39
MMP8 P22894 1/20 0.39
EPHX2 P34913 1/20 0.39
AKT1 P31749 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSS P25774 2/20 0.36

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
SCHEMBL2384477 0.93 ITGA4 (0.44) ITGA4ITGB7ALDH1A1LMNAJAK2
SCHEMBL2386632 0.93 ITGA4 (0.45) ITGA4ITGB7ALDH1A1LMNAACE
SCHEMBL2904541 0.92 JAK2 (0.42) ITGA4ITGB7ALDH1A1LMNAJAK2
SCHEMBL2385845 0.91 ITGA4 (0.43) ITGA4ITGB7ALDH1A1LMNAJAK2
SCHEMBL2387206 0.89 ITGA4 (0.40) ITGA4ITGB7ALDH1A1LMNAACE
SCHEMBL2386899 0.89 ITGA4 (0.53) ITGA4ITGB7ALDH1A1ACEMMP8
SCHEMBL2385212 0.89 ITGA4 (0.41) ITGA4ITGB7ALDH1A1ACEEPHX2
SCHEMBL2385838 0.89 ITGA4 (0.42) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2387347 0.89 ITGA4 (0.42) ITGA4ITGB7ACEMMP8AKT1
SCHEMBL2385820 0.89 ABCB1 (0.40) ALDH1A1LMNAACEMMP8EPHX2

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 2 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
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

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.