SCHEMBL2861954

SCHEMBL2861954

O=C(OCc1ccccc1)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.50
ITGB7 P26010 2/20 0.50
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
P2RX7 Q99572 3/20 0.42
LTA4H P09960 1/20 0.42
LAP3 P28838 1/20 0.42
S1PR4 O95977 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TACR1 P25103 1/20 0.41
ACE P12821 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2861953 1.00 ITGA4 (0.50) ITGA4ITGB7CA12CA7CA9
SCHEMBL2863723 0.90 CA12 (0.45) ITGA4ITGB7CA12CA7CA9
SCHEMBL2863719 0.90 CA12 (0.45) ITGA4ITGB7CA12CA7CA9
SCHEMBL2857461 0.90 CA12 (0.55) ITGA4ITGB7CA12CA7CA9
SCHEMBL2857462 0.90 CA12 (0.55) ITGA4ITGB7CA12CA7CA9
SCHEMBL1825512 0.87 ITGA4 (0.51) ITGA4ITGB7CA12CA7CA9
SCHEMBL1825511 0.87 ITGA4 (0.51) ITGA4ITGB7CA12CA7CA9
SCHEMBL2852771 0.87 CA12 (0.44) ITGA4ITGB7CA12CA7CA9
SCHEMBL2852769 0.87 CA12 (0.44) ITGA4ITGB7CA12CA7CA9
SCHEMBL2855590 0.87 ITGA4 (0.57) ITGA4ITGB7CA12CA7CA9

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
EP-1346971-B1 Production method for biarylalanine SUMITOMO CHEMICAL CO (JP) 2010-01-20 EP disclosed
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH ITGA4 4068/4885ITGB7 4304/4885CA12 1913/4885

“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.