SCHEMBL4289182

SCHEMBL4289182

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

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.71
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
RORC P51449 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL4282308 0.92 AOC3 (0.68) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Carbamic Acid SCHEMBL4986143 0.91 AOC3 (0.69) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6196677 0.88 AOC3 (0.69) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3935576 0.87 AOC3 (0.73) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL6387559 0.86 AOC3 (0.57) AOC3
SCHEMBL4873920 0.86 AOC3 (0.72) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3931455 0.86 AOC3 (0.77) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4883897 0.86 AOC3 (0.77) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14019612 0.85 AOC3 (0.71) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1443560 0.85 AOC3 (0.74) 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
US-20090170770-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP 1) INHIBITOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-07-02 US disclosed
EP-1737450-A1 AQUEOUS COMPOSITION COMPRISING THIAZOLE DERIVATIVE R-Tech Ueno, Ltd. (JP) 2007-01-03 EP disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
WO-2005089755-A1 AQUEOUS COMPOSITION COMPRISING THIAZOLE DERIVATIVE R-TECH UENO, LTD. (JP) 2005-09-29 WO disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 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-20090170770-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP 1) INHIBITOR VCAM1, VAPB, FLT1 AOC3 402/4885PIK3CD 2212/4885PIK3CA 1792/4885

“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.