SCHEMBL1713422

SCHEMBL1713422

CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OC4CCCC4)cc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SLC5A2 P31639 17/20 0.49
SLC5A1 P13866 13/20 0.49

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
SCHEMBL1713673 0.99 TSHR (0.49) TSHRSLC5A2SLC5A1
SCHEMBL1713630 0.99 TSHR (0.51) TSHRSLC5A2SLC5A1
SCHEMBL18466633 0.94 SLC5A2 (0.54) TSHRSLC5A2SLC5A1
SCHEMBL1713864 0.94 SLC5A2 (0.54) TSHRSLC5A2SLC5A1
SCHEMBL16882644 0.93 SLC5A2 (0.48) TSHRSLC5A2SLC5A1
SCHEMBL16882645 0.93 SLC5A2 (0.48) TSHRSLC5A2SLC5A1
SCHEMBL16871795 0.92 SLC5A2 (0.60) TSHRSLC5A2SLC5A1
SCHEMBL16871800 0.92 SLC5A2 (0.60) TSHRSLC5A2SLC5A1
SCHEMBL16871854 0.92 SLC5A2 (0.60) TSHRSLC5A2SLC5A1
SCHEMBL16882634 0.92 SLC5A2 (0.60) TSHRSLC5A2SLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881990-B1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATIVES AND INTERMEDIATES THEREIN BOEHRINGER INGELHEIM INT (DE) 2016-02-17 EP disclosed
US-9127034-B2 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivates and intermediates therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
US-9127034-B2 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivates and intermediates therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 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-20100240879-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATES AND INTERMEDIATES THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240879-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATES AND INTERMEDIATES THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-7772191-B2 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivatives and intermediates therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-10 US disclosed
US-7772191-B2 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivatives and intermediates therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-10 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-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 (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 TSHR 3621/4885SLC5A2 4/4885SLC5A1 5/4885
US-20100240879-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATES AND INTERMEDIATES THEREIN UGGT1, B3GAT3, B4GALT1 TSHR 3209/4885SLC5A2 123/4885SLC5A1 85/4885

“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.