SCHEMBL3935576

SCHEMBL3935576

CC(=O)Nc1nc(CCc2ccc(CC(=O)O)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.73
RORC P51449 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLS O94925 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
SCHEMBL6385508 0.90 AOC3 (0.73) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL4875146 0.90 AOC3 (0.75) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL4873920 0.89 AOC3 (0.72) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL3931455 0.89 AOC3 (0.77) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL4883897 0.89 AOC3 (0.77) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL4863694 0.89 AOC3 (0.74) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL4289182 0.87 AOC3 (0.71) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL4865257 0.86 AOC3 (0.70) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL4874225 0.86 AOC3 (0.70) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5500818 0.86 AOC3 (0.70) AOC3RORCPIK3CDPIK3CAPIK3CB

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-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885RORC 2485/4885PIK3CD 4021/4885

“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.