SCHEMBL3044328

SCHEMBL3044328

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELAVL1 Q15717 3/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HTR6 P50406 12/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL1651879 0.82 HTR6 (0.74) ELAVL1CA12CA1CA2CA9
SCHEMBL3045523 0.81 HTR6 (0.49) ELAVL1CA12CA1CA2CA9
SCHEMBL19737552 0.79 HTR6 (0.55) ELAVL1CA12CA1CA2CA9
SCHEMBL19737472 0.74 HTR6 (0.66) HTR6L3MBTL1POLB
SCHEMBL28984412 0.74 L3MBTL1 (0.77) CA12CA1CA2CA9HTR6
SCHEMBL2251135 0.72 ELAVL1 (0.48) ELAVL1CA12CA1CA2CA9
Dimethylamine SCHEMBL21222407 0.71 HTR6 (0.65) HTR6L3MBTL1POLB
SCHEMBL19737624 0.70 HTR6 (0.63) HTR6
SCHEMBL19737625 0.70 HTR6 (0.53) ELAVL1HTR6L3MBTL1POLB
SCHEMBL19737482 0.70 ELAVL1 (0.77) ELAVL1HTR6L3MBTL1MEN1KMT2A

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 10 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
EP-1680131-A4 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP 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
EP-1680131-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed
WO-2005012243-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (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 ELAVL1 2641/4885CA12 3948/4885CA1 3742/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP ELAVL1 2641/4885CA12 3948/4885CA1 3742/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP ELAVL1 2641/4885CA12 3948/4885CA1 3742/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 ELAVL1 3860/4885CA12 4524/4885CA1 4635/4885

“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.