SCHEMBL1713871

SCHEMBL1713871

CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C#N)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 20/20 0.75
▸ SLC5A1 P13866 7/20 0.74
▸ ADRA2A P08913 1/20 0.74
▸ SLC5A11 Q8WWX8 1/20 0.74

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
SCHEMBL2215209 0.90 SLC5A2 (0.75) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12167311 0.90 SLC5A2 (0.75) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1713713 0.90 SLC5A2 (0.73) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL2872067 0.90 SLC5A2 (0.62) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1146580 0.89 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL22450868 0.89 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL2868243 0.88 SLC5A2 (0.78) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL16361646 0.88 SLC5A2 (0.59) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1713388 0.87 SLC5A2 (0.59) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL2868803 0.87 SLC5A2 (0.62) SLC5A2SLC5A1ADRA2ASLC5A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989191-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INT (DE) 2011-07-20 — — EP claimed
US-7745414-B2 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-29 — — US claimed
EP-1989191-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INT (DE) 2011-07-20 — — EP disclosed
EP-1989191-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INT (DE) 2011-07-20 — — EP disclosed
US-7745414-B2 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-29 — — US disclosed
US-7745414-B2 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-29 — — US disclosed
US-7745414-B2 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-29 — — US disclosed
US-20100081625-A1 METHODS FOR PREVENTING AND TREATING NEURODEGENERATIVE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — US disclosed
US-20100081625-A1 METHODS FOR PREVENTING AND TREATING NEURODEGENERATIVE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — US disclosed
EP-1989191-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2008-11-12 — — EP disclosed
US-20080058379-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-06 — — US disclosed
US-20080058379-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-06 — — US disclosed
US-20080058379-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-06 — — US disclosed
WO-2007093610-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 — — WO disclosed
WO-2007093610-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 — — 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 (2 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-20080058379-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture UGGT1, GALE, UGT1A4 SLC5A2 4/4885SLC5A1 5/4885ADRA2A 2183/4885
US-20100081625-A1 METHODS FOR PREVENTING AND TREATING NEURODEGENERATIVE DISORDERS HTT, SNCA, PSEN2 SLC5A2 59/4885SLC5A1 41/4885ADRA2A 2392/4885

“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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