SCHEMBL1457589

SCHEMBL1457589

Cc1ccc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 10/20 0.39
SLC5A1 P13866 2/20 0.36
TACR2 P21452 1/20 0.36
NT5E P21589 1/20 0.36
PTPN1 P18031 3/20 0.35
CDC25B P30305 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL13651137 1.00 SLC5A2 (0.39) SLC5A2SLC5A1TACR2NT5EPTPN1
SCHEMBL1457374 0.85 PTPN1 (0.44) SLC5A2SLC5A1TACR2PTPN1CDC25B
SCHEMBL13947257 0.85 PTPN1 (0.44) SLC5A2SLC5A1TACR2PTPN1CDC25B
SCHEMBL13201198 0.82 DRD2 (0.42) TACR2NT5EPTPN1CDC25BCA1
SCHEMBL12425693 0.82 DRD2 (0.42) TACR2NT5EPTPN1CDC25BCA1
SCHEMBL1457588 0.81 TACR2 (0.33) SLC5A2SLC5A1TACR2NT5EPTPN1
SCHEMBL20141043 0.81 SLC5A2 (0.41) SLC5A2SLC5A1NT5EPTPN1CDC25B
SCHEMBL20139702 0.80 SLC5A2 (0.53) SLC5A2SLC5A1TACR2
SCHEMBL1457455 0.80 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL13947258 0.80 SLC5A2 (0.47) SLC5A2SLC5A1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140046046-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20140046046-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20140046046-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20120296080-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20120296080-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20120296080-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
EP-1730131-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZOL DERIVATIVES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-05-09 EP disclosed
EP-1730131-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZOL DERIVATIVES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-05-09 EP disclosed
EP-2360165-A2 GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2011-08-24 EP disclosed
EP-2360164-A2 GLUCOPYRANOSYL-SUBSTITUTED BENZOL DERIVATIVES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim International GmbH (DE) 2011-08-24 EP disclosed
US-7579449-B2 Glucopyranosyl-substituted phenyl derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-7579449-B2 Glucopyranosyl-substituted phenyl derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US disclosed
US-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US disclosed
US-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US disclosed
WO-2007014894-A2 GLUCOPYRANOSYL-SUBSTITUTED ( (HETERO) CYCLOALYKLETHYNYL-BENZYL) -BENZENE DERIVATIVES AND USE THEREOF AS SODIUM-DEPENDENT GLUCOSE COTRANSPORTER (SGLT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
US-20070027092-A1 Glucopyranosyl-substituted ((hetero)cycloalkylethynyl-benzyl)-benzene derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 US disclosed
US-20070027092-A1 Glucopyranosyl-substituted ((hetero)cycloalkylethynyl-benzyl)-benzene derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 US disclosed
US-20060189548-A1 Glucopyranosyl-substituted ((hetero)arylethynyl-benzyl)-benzene derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 US disclosed
US-20050209166-A1 Metabolic disorders like diabetes; inhibits sodium-dependent glucose cotransporter; 1-chloro-2-(4-cyclopentyloxybenzyl)-4-( beta -D-glucopyranos-1-yl)-benzene BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 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 (6 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-20070027092-A1 Glucopyranosyl-substituted ((hetero)cycloalkylethynyl-benzyl)-benzene derivatives, medicaments containing such compounds, their use and process for their manufacture UGGT1, GPR119, UGT2B7 SLC5A2 7/4885SLC5A1 6/4885TACR2 2146/4885
US-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, SLC5A1 SLC5A2 5/4885SLC5A1 3/4885TACR2 3368/4885
US-20060189548-A1 Glucopyranosyl-substituted ((hetero)arylethynyl-benzyl)-benzene derivatives, medicaments containing such compounds, their use and process for their manufacture UGGT1, UGT2B7, GPR119 SLC5A2 5/4885SLC5A1 9/4885TACR2 3222/4885
US-20050209166-A1 Metabolic disorders like diabetes; inhibits sodium-dependent glucose cotransporter; 1-chloro-2-(4-cyclopentyloxybenzyl)-4-( beta -D-glucopyranos-1-yl)-benzene SLC5A1, SLC5A2, SLC2A1 SLC5A2 2/4885SLC5A1 1/4885TACR2 1406/4885
US-20120296080-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, G6PC1 SLC5A2 7/4885SLC5A1 5/4885TACR2 3483/4885
US-20140046046-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, SLC5A1 SLC5A2 5/4885SLC5A1 3/4885TACR2 3368/4885

“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.