SCHEMBL3759990

SCHEMBL3759990

Nc1cccc(-c2ccc3c(c2)CN(C(=O)c2ccc(S(N)(=O)=O)cc2)CCO3)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.67
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA9 Q16790 4/20 0.55
CA7 P43166 3/20 0.55
CA14 Q9ULX7 3/20 0.55
CA12 O43570 2/20 0.55
MTOR P42345 1/20 0.48

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
SCHEMBL3760726 0.91 PIK3CA (0.74) PIK3CA
SCHEMBL3752723 0.86 PIK3CA (0.69) PIK3CACA1CA2CA9CA7
SCHEMBL3748456 0.85 PIK3CA (0.84) PIK3CAMTOR
SCHEMBL3763001 0.82 PIK3CA (0.78) PIK3CA
SCHEMBL3752083 0.81 PIK3CA (0.80) PIK3CACA1CA2CA9CA12
SCHEMBL3759895 0.81 PIK3CA (0.65) PIK3CACA1CA2CA9CA7
SCHEMBL3759648 0.80 PIK3CA (0.77) PIK3CA
SCHEMBL3751004 0.80 PIK3CA (0.88) PIK3CAMTOR
SCHEMBL3758420 0.80 PIK3CA (0.68) PIK3CACA1CA2CA9CA7
SCHEMBL3715990 0.80 PIK3CA (0.74) PIK3CA

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 16/4885CA1 3477/4885CA2 1640/4885

“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.