SCHEMBL3935407

SCHEMBL3935407

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

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.77
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44

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
SCHEMBL3931455 0.92 AOC3 (0.77) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3933885 0.89 AOC3 (0.78) AOC3
SCHEMBL3943198 0.87 AOC3 (0.74) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875662 0.87 AOC3 (0.76) AOC3
Hydrochloric Acid SCHEMBL3939144 0.86 AOC3 (0.74) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4874977 0.85 AOC3 (0.76) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4870605 0.84 AOC3 (0.58) AOC3
SCHEMBL27626556 0.84 AOC3 (0.60) AOC3
SCHEMBL28768990 0.84 AOC3 (0.59) AOC3
SCHEMBL3933068 0.84 AOC3 (0.67) AOC3PIK3CDPIK3CAPIK3CBPIK3CG

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 5 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
CN-101031555-A Thiazole derivative capable of vap-1 inhibitory activity ASTELLAS PHARMA INC (JP) 2007-09-05 CN 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 386/4885PIK3CD 4021/4885PIK3CA 4220/4885

“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.