SCHEMBL3765852

SCHEMBL3765852

Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccc3ncccc3c2)cnc1Cl

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.61
NFKBIA P25963 1/20 0.50
RELA Q04206 1/20 0.50
PIK3CD O00329 4/20 0.49
ALPL P05186 1/20 0.44
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
NHERF1 O14745 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKT1 P31749 1/20 0.42

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
SCHEMBL3758319 0.78 PIK3CA (0.77) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1543543 0.78 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL3656586 0.77 PIK3CA (0.83) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3655267 0.77 PIK3CA (0.82) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1543919 0.77 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL3662733 0.77 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1543840 0.76 PIK3CA (0.77) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL732168 0.76 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL3764342 0.75 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL3661559 0.74 PIK3CA (0.77) PIK3CAPIK3CDPIK3CBMTORPIK3CG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-12-09 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 (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-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS PIKFYVE, JAK3, PI4KA PIK3CA 15/4885NFKBIA 705/4885RELA 2591/4885

“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.