SCHEMBL3973620

SCHEMBL3973620

Cc1ccc(S(=O)(=O)OCC2CC3CCC(C2)N3C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
GPR119 Q8TDV5 13/20 0.43
MMP13 P45452 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STS P08842 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL12794680 1.00 HSD11B1 (0.49) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL16499643 0.89 HSD11B1 (0.47) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL23265405 0.86 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL26143890 0.84 MMP13 (0.43) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL6047460 0.84 STS (0.43) MEN1KMT2ASTS
SCHEMBL30998760 0.84 STS (0.43) MEN1KMT2ASTS
SCHEMBL30586531 0.84 MMP13 (0.46) HSD11B1GPR119MMP13MEN1KMT2A
SCHEMBL216692 0.84 GPR119 (0.58) GPR119MMP13MEN1KMT2ASTS
SCHEMBL20765293 0.84 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL30661336 0.84 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682142-B1 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-07-11 EP disclosed
US-7906531-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-03-15 US disclosed
US-20090275604-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2009-11-05 US disclosed
US-7563803-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2009-07-21 US disclosed
US-7439255-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
US-20070270456-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-11-22 US disclosed
US-20070129396-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED 2007-06-07 US disclosed
EP-1682142-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-07-26 EP disclosed
WO-2005046586-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-05-26 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 (3 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-20070129396-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 HSD11B1 3554/4885CHRM2 3/4885CHRM1 19/4885
US-20090275604-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM5 HSD11B1 4075/4885CHRM2 2/4885CHRM1 8/4885
US-20070270456-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM5 HSD11B1 4075/4885CHRM2 2/4885CHRM1 8/4885

“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.