SCHEMBL12401351

SCHEMBL12401351

COc1ccc(I)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.56
PIK3CG P48736 6/20 0.55
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL189679 0.92 GAA (0.63) PIK3CDPIK3CGGAAALDH1A1ALOX15
SCHEMBL189228 0.88 GAA (0.57) PIK3CDPIK3CGGAAALDH1A1HSD17B10
SCHEMBL12653081 0.86 PIK3CG (0.55) PIK3CDPIK3CG
SCHEMBL188736 0.85 PIK3CD (0.58) PIK3CDPIK3CGGAA
SCHEMBL12386654 0.84 PIK3CD (0.59) PIK3CDPIK3CG
SCHEMBL12387586 0.83 PIK3CD (0.57) PIK3CDPIK3CGMAPT
SCHEMBL188873 0.81 PIK3CG (0.57) PIK3CDPIK3CGGAA
SCHEMBL188756 0.80 PIK3CG (0.57) PIK3CDPIK3CGGAAALDH1A1MAPT
SCHEMBL189095 0.78 PIK3CG (0.59) PIK3CDPIK3CGGAAALDH1A1MAPT
SCHEMBL189069 0.78 PIK3CD (0.56) PIK3CDPIK3CGGAAHSD17B10

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-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 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-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CD 4/4885PIK3CG 3/4885GAA 1284/4885

“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.