SCHEMBL4352336

SCHEMBL4352336

CS(=O)(=O)c1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)O)CC2)c(F)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.79
CYP2C9 P11712 2/20 0.79
GPR119 Q8TDV5 17/20 0.60
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1128592 0.92 CYP3A4 (0.82) CYP3A4CYP2C9GPR119
SCHEMBL1128962 0.89 CYP3A4 (1.00) CYP3A4CYP2C9GPR119
SCHEMBL303668 0.89 CYP2C9 (0.80) CYP3A4CYP2C9GPR119KCNH2
SCHEMBL304402 0.87 CYP3A4 (0.75) CYP3A4CYP2C9GPR119KCNH2
SCHEMBL12596533 0.87 CYP3A4 (0.82) CYP3A4CYP2C9GPR119
SCHEMBL27852874 0.86 CYP3A4 (0.70) CYP3A4CYP2C9GPR119
SCHEMBL303694 0.86 CYP3A4 (0.71) CYP3A4CYP2C9GPR119
SCHEMBL306211 0.85 GPR119 (0.80) CYP3A4CYP2C9GPR119
SCHEMBL303592 0.85 CYP3A4 (0.69) CYP3A4CYP2C9GPR119
SCHEMBL1128897 0.85 CYP3A4 (0.66) CYP3A4CYP2C9GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885CYP2C9 917/4885GPR119 1/4885

“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.