SCHEMBL4986255

SCHEMBL4986255

CS(=O)(=O)c1ccc(Cc2sc(NC(=O)O)nc2CCc2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.63
RORC P51449 1/20 0.38
XIAP P98170 3/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 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
SCHEMBL1443560 0.93 AOC3 (0.74) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL4875467 0.92 AOC3 (0.73) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14417440 0.90 AOC3 (0.59) AOC3
SCHEMBL4873920 0.87 AOC3 (0.72) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL4874240 0.87 AOC3 (0.66) AOC3RORCXIAPPIK3CDPIK3CA
SCHEMBL14019640 0.87 AOC3 (0.73) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL4876136 0.86 AOC3 (0.73) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3943198 0.85 AOC3 (0.74) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14417438 0.85 AOC3 (0.63) AOC3RORC
SCHEMBL4874225 0.85 AOC3 (0.70) 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-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (3 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885RORC 4786/4885XIAP 903/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885RORC 2850/4885XIAP 2297/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885RORC 4020/4885XIAP 306/4885

“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.