SCHEMBL3045523

SCHEMBL3045523

COc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3cccc(OCc4ccccc4)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.49
▸ ELAVL1 Q15717 2/20 0.46
▸ ABCB1 P08183 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL3044328 0.81 ELAVL1 (0.51) HTR6ELAVL1CA12CA1CA2
SCHEMBL3046174 0.78 HTR6 (0.47) HTR6
SCHEMBL2887000 0.77 MEN1 (0.60) HTR6
SCHEMBL1651879 0.77 HTR6 (0.74) HTR6ELAVL1CA12CA1CA2
SCHEMBL2887045 0.76 KDM4E (0.45) HTR6
SCHEMBL19737552 0.72 HTR6 (0.55) HTR6ELAVL1CA12CA1CA2
SCHEMBL13959826 0.70 ABCB1 (0.55) ABCB1DRD2
SCHEMBL3036049 0.70 ABCB1 (0.52) ABCB1DRD2
SCHEMBL17927509 0.69 HTR6 (0.71) HTR6
SCHEMBL19737472 0.69 HTR6 (0.66) HTR6DRD2HTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 — — US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 — — US disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 — — US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 — — US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 — — US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 — — US disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 — — 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 (4 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-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP HTR6 100/4885ELAVL1 2641/4885ABCB1 2246/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP HTR6 100/4885ELAVL1 2641/4885ABCB1 2246/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP HTR6 100/4885ELAVL1 2641/4885ABCB1 2246/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 HTR6 946/4885ELAVL1 3860/4885ABCB1 839/4885

“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.

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