SCHEMBL3756231

SCHEMBL3756231

CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc4ccccc4c3)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.70
MTOR P42345 1/20 0.66
CREBBP Q92793 7/20 0.47
GPR142 Q7Z601 3/20 0.44
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL3762554 0.85 PIK3CA (0.83) PIK3CAMTORCREBBPGPR142
SCHEMBL3277263 0.84 PIK3CA (0.60) PIK3CACREBBPGPR142USP30
SCHEMBL856320 0.83 PIK3CA (0.49) PIK3CAMTORCREBBPGPR142USP30
SCHEMBL3752728 0.83 PIK3CA (0.62) PIK3CAMTORCREBBPGPR142USP30
SCHEMBL3749745 0.83 PIK3CA (0.49) PIK3CAMTORGPR142USP30
SCHEMBL30405764 0.83 PIK3CA (0.62) PIK3CAMTORCREBBPGPR142USP30
SCHEMBL7858849 0.81 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL2724334 0.81 PIK3CA (0.47) PIK3CAMTORCREBBPGPR142USP30
SCHEMBL9288018 0.80 PIK3CA (0.51) PIK3CAMTORCREBBP
SCHEMBL3749669 0.80 PIK3CA (0.75) PIK3CAMTOR

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
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO 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 16/4885MTOR 1/4885CREBBP 1171/4885

“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.