SCHEMBL12596368

SCHEMBL12596368

Cc1cc(S(C)(=O)=O)ccc1Nc1ncnc2c1ncn2C1CCN(C(=O)OC(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.56
CYP2C9 P11712 5/20 0.49
CYP3A4 P08684 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL10137743 0.91 GPR119 (0.66) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL12596711 0.86 GPR119 (0.67) GPR119CYP2C9KCNH2
SCHEMBL12596392 0.84 GPR119 (0.56) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL10151293 0.80 GPR119 (0.77) GPR119CYP2C9CYP3A4
SCHEMBL304338 0.79 GPR119 (0.60) GPR119CYP2C9CYP3A4
SCHEMBL12596422 0.79 GPR119 (0.66) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL10171813 0.79 GPR119 (0.66) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL9972355 0.78 GPR119 (0.67) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL10137710 0.78 GPR119 (0.81) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL12596549 0.76 GPR119 (0.66) GPR119CYP2C9CYP3A4KCNH2

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-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 US disclosed
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 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-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS GPR119, GCGR, GPR35 GPR119 1/4885CYP2C9 709/4885CYP3A4 1059/4885

“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.