SCHEMBL3760086

SCHEMBL3760086

Cc1cc(S(C)(=O)=O)ccc1C(=O)N1CCOc2ccc(-c3ccc4cn[nH]c4c3)cc2C1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.68
CREBBP Q92793 3/20 0.51
PRKDC P78527 1/20 0.51

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
SCHEMBL3754734 0.92 PIK3CA (0.74) PIK3CACREBBPPRKDC
SCHEMBL3758212 0.91 PIK3CA (0.73) PIK3CACREBBPPRKDC
SCHEMBL3752714 0.90 PIK3CA (0.63) PIK3CACREBBPPRKDC
SCHEMBL3761135 0.90 PIK3CA (0.80) PIK3CACREBBP
SCHEMBL3766381 0.89 PIK3CA (0.64) PIK3CACREBBPPRKDC
SCHEMBL3755398 0.87 PIK3CA (0.71) PIK3CACREBBPPRKDC
SCHEMBL3757004 0.85 PIK3CA (0.65) PIK3CACREBBPPRKDC
SCHEMBL3755812 0.85 PIK3CA (0.73) PIK3CACREBBPPRKDC
Hydrochloric Acid SCHEMBL3762167 0.85 PIK3CA (0.64) PIK3CACREBBPPRKDC
SCHEMBL3754013 0.84 PIK3CA (0.83) PIK3CACREBBPPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR PIK3CA 16/4885CREBBP 1171/4885PRKDC 480/4885

“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.