SCHEMBL3752723

SCHEMBL3752723

NS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5c(c4)OCO5)cc3C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.69
CA2 P00918 4/20 0.56
CA9 Q16790 4/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 3/20 0.51
CA7 P43166 3/20 0.51
CA14 Q9ULX7 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL3750545 0.90 PIK3CA (0.72) PIK3CA
SCHEMBL3759990 0.86 PIK3CA (0.67) PIK3CACA2CA9CA12CA1
SCHEMBL3748456 0.84 PIK3CA (0.84) PIK3CA
SCHEMBL3756368 0.83 PIK3CA (0.57) PIK3CA
SCHEMBL3759895 0.82 PIK3CA (0.65) PIK3CACA2CA9CA1CA7
SCHEMBL3749014 0.82 PIK3CA (0.55) PIK3CA
SCHEMBL3758420 0.81 PIK3CA (0.68) PIK3CACA2CA9CA1CA7
SCHEMBL3759648 0.81 PIK3CA (0.77) PIK3CA
SCHEMBL3751004 0.81 PIK3CA (0.88) PIK3CA
SCHEMBL3752083 0.81 PIK3CA (0.80) PIK3CACA2CA9CA12CA1

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 4 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
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO 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 16/4885CA2 1640/4885CA9 3088/4885

“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.