SCHEMBL3755854

SCHEMBL3755854

CCc1cc(S(C)(=O)=O)ccc1C(=O)N1CCOc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.54
PRKDC P78527 1/20 0.47
SCD O00767 1/20 0.42
RIPK1 Q13546 1/20 0.40
GPR142 Q7Z601 1/20 0.40

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
SCHEMBL3754306 0.94 PIK3CA (0.52) PIK3CAPRKDCRIPK1GPR142
SCHEMBL3752680 0.91 PIK3CA (0.55) PIK3CAPRKDCSCDGPR142
SCHEMBL3754856 0.91 PIK3CA (0.44) PIK3CAPRKDCRIPK1GPR142
SCHEMBL3749911 0.88 PIK3CA (0.64) PIK3CA
SCHEMBL3754686 0.85 PIK3CA (0.68) PIK3CAPRKDCGPR142
SCHEMBL3763729 0.83 PIK3CA (0.60) PIK3CAPRKDC
Hydrochloric Acid SCHEMBL3755196 0.83 PIK3CA (0.59) PIK3CAPRKDC
SCHEMBL3748041 0.82 PIK3CA (0.62) PIK3CAPRKDC
SCHEMBL3758837 0.82 PIK3CA (0.58) PIK3CAPRKDCSCDRIPK1GPR142
SCHEMBL3752580 0.81 PIK3CA (0.52) PIK3CAPRKDC

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 16/4885PRKDC 480/4885SCD 558/4885

“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.