SCHEMBL1713864

SCHEMBL1713864

CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OC4CCOCC4)cc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 17/20 0.54
SLC5A1 P13866 12/20 0.54
TSHR P16473 1/20 0.48

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
SCHEMBL18466633 1.00 SLC5A2 (0.54) SLC5A2SLC5A1TSHR
SCHEMBL13160937 0.95 SLC5A2 (0.61) SLC5A2SLC5A1TSHR
SCHEMBL1713724 0.95 SLC5A2 (0.61) SLC5A2SLC5A1TSHR
SCHEMBL1714371 0.95 SLC5A2 (0.61) SLC5A2SLC5A1TSHR
SCHEMBL2868357 0.95 SLC5A2 (0.61) SLC5A2SLC5A1TSHR
SCHEMBL1713630 0.94 TSHR (0.51) SLC5A2SLC5A1TSHR
SCHEMBL1713422 0.94 TSHR (0.50) SLC5A2SLC5A1TSHR
SCHEMBL1713673 0.93 TSHR (0.49) SLC5A2SLC5A1TSHR
SCHEMBL16871795 0.90 SLC5A2 (0.60) SLC5A2SLC5A1TSHR
SCHEMBL16871854 0.90 SLC5A2 (0.60) SLC5A2SLC5A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253010-B2 C-glycoside derivative SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2019-04-09 US disclosed
US-20170101388-A1 C-GLYCOSIDE DERIVATIVE Xuanzhu Pharma Co., Ltd. (CN) 2017-04-13 US disclosed
US-9562029-B2 C-glycoside derivatives Xuanzhu Pharma Co., Ltd. (CN) 2017-02-07 US 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
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
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 (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-20080058379-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture UGGT1, GALE, UGT1A4 SLC5A2 4/4885SLC5A1 5/4885TSHR 3621/4885
US-10253010-B2 C-glycoside derivative RDX, C1R, C3AR1 SLC5A2 219/4885SLC5A1 245/4885TSHR 774/4885
US-20170101388-A1 C-GLYCOSIDE DERIVATIVE RDX, C1R, C3AR1 SLC5A2 219/4885SLC5A1 245/4885TSHR 774/4885

“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.