SCHEMBL3770671

SCHEMBL3770671

COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(-c2ccc3ncccc3c2)cnc1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.57
ACLY P53396 8/20 0.54
TDP1 Q9NUW8 1/20 0.51
PIK3CD O00329 2/20 0.50
ALPL P05186 3/20 0.49
FABP4 P15090 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
AKT1 P31749 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3661559 0.84 PIK3CA (0.77) PIK3CAPIK3CDAKT1
SCHEMBL3662990 0.82 PIK3CA (0.68) PIK3CAPIK3CDAKT1
SCHEMBL3764342 0.82 PIK3CA (0.71) PIK3CAPIK3CDAKT1
SCHEMBL1543840 0.78 PIK3CA (0.77) PIK3CATDP1PIK3CDAKT1
SCHEMBL3664668 0.78 PIK3CA (0.65) PIK3CAACLYPIK3CDAKT1
SCHEMBL3655267 0.78 PIK3CA (0.82) PIK3CAPIK3CD
SCHEMBL1543543 0.76 PIK3CA (0.70) PIK3CAPIK3CDPOLB
SCHEMBL3656586 0.76 PIK3CA (0.83) PIK3CAPIK3CD
SCHEMBL3758319 0.75 PIK3CA (0.77) PIK3CAPIK3CDAKT1
SCHEMBL3756842 0.74 PIK3CA (0.73) PIK3CATDP1PIK3CDAKT1

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 15/4885ACLY 4011/4885TDP1 688/4885

“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.