SCHEMBL12596387

SCHEMBL12596387

O=S(=O)(c1ccc(Nc2ncnc3c2ncn3C2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.44
YTHDC1 Q96MU7 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2B P29275 2/20 0.41
FLT3 P36888 1/20 0.36
CYP1A2 P05177 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL12596392 0.85 GPR119 (0.56) GPR119CYP3A4CYP2C9
SCHEMBL12596724 0.84 YTHDC1 (0.40) GPR119YTHDC1CYP3A4CYP2C9ADORA3
SCHEMBL12596381 0.84 GPR119 (0.66) GPR119CYP3A4CYP2C9
SCHEMBL10169942 0.81 GPR119 (0.54) GPR119YTHDC1CYP3A4CYP2C9ADORA3
SCHEMBL304338 0.79 GPR119 (0.60) GPR119YTHDC1CYP3A4CYP2C9
SCHEMBL866007 0.78 GPR119 (0.59) GPR119YTHDC1CYP3A4CYP2C9
SCHEMBL304233 0.78 GPR119 (0.53) GPR119YTHDC1CYP3A4CYP2C9
SCHEMBL12596419 0.77 GPR119 (0.71) GPR119CYP3A4CYP2C9
SCHEMBL10137743 0.77 GPR119 (0.66) GPR119CYP3A4CYP2C9
SCHEMBL10151293 0.75 GPR119 (0.77) GPR119CYP3A4CYP2C9

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 1/4885YTHDC1 2705/4885CYP3A4 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.