SCHEMBL15399388

SCHEMBL15399388

CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.46
PRKDC P78527 1/20 0.44
PIK3CD O00329 6/20 0.42
PIK3CB P42338 5/20 0.42
PIK3CG P48736 5/20 0.42
GPR142 Q7Z601 5/20 0.41
MTOR P42345 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3749745 0.82 PIK3CA (0.49) PIK3CAPRKDCGPR142MTORCYP2D6
SCHEMBL9288018 0.79 PIK3CA (0.51) PIK3CAPRKDCMTOR
SCHEMBL856320 0.79 PIK3CA (0.49) PIK3CAPRKDCGPR142MTOR
SCHEMBL2724620 0.79 PIK3CA (0.41) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL30405764 0.79 PIK3CA (0.62) PIK3CAPRKDCGPR142MTOR
SCHEMBL3752728 0.79 PIK3CA (0.62) PIK3CAPRKDCGPR142MTOR
SCHEMBL3756231 0.77 PIK3CA (0.70) PIK3CAGPR142MTOR
SCHEMBL2724334 0.77 PIK3CA (0.47) PIK3CAPRKDCGPR142MTOR
SCHEMBL3277263 0.76 PIK3CA (0.60) PIK3CAGPR142
SCHEMBL9288017 0.75 PIK3CA (0.45) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG

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-20140005172-A1 Benzoxazepines as Inhibitors of PI3K/M TOR and Methods of Their Use and Manufacture ELELIXIS, INC. (US) 2014-01-02 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-20140005172-A1 Benzoxazepines as Inhibitors of PI3K/M TOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3R2 PIK3CA 4/4885PRKDC 2472/4885PIK3CD 9/4885

“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.