SCHEMBL1456830

SCHEMBL1456830

CCOc1ccc(Cc2cc(Br)ccc2I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
NQO1 P15559 1/20 0.42
APP P05067 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
ADAM17 P78536 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
SLC5A2 P31639 4/20 0.37
SLC5A1 P13866 3/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3632188 0.84 DHFR (0.46) DHFRNQO1APPSMN1; SMN2LMNA
SCHEMBL18418928 0.84 DHFR (0.46) DHFRNQO1SMN1; SMN2LMNAKDM4E
SCHEMBL17073877 0.84 DHFR (0.43) DHFRNQO1APPSMN1; SMN2LMNA
SCHEMBL37829 0.83 SLC5A2 (0.51) DHFRNQO1SMN1; SMN2LMNAKDM4E
SCHEMBL1457494 0.82 DHFR (0.34) DHFRSMN1; SMN2LMNAKDM4EHPGD
SCHEMBL38150 0.82 SLC5A2 (0.53) ALDH1A1MAPTGAASLC5A2SLC5A1
SCHEMBL28191188 0.82 DHFR (0.50) DHFRNQO1SMN1; SMN2LMNAKDM4E
SCHEMBL17916 0.82 SLC5A2 (0.52) DHFRNQO1SMN1; SMN2LMNAKDM4E
SCHEMBL29386304 0.82 SLC5A2 (0.53) ALDH1A1MAPTGAASLC5A2SLC5A1
SCHEMBL1539273 0.81 SLC5A2 (0.53) DHFRKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2295422-A2 Glucopyranosyl substituted benzol derivatives, pharmaceutical compositions containing these compounds, use thereof and method for their production Boehringer Ingelheim International GmbH (DE) 2011-03-16 EP claimed
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
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
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-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
EP-1828216-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INT (DE) 2008-09-10 EP disclosed
EP-1828216-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INT (DE) 2008-09-10 EP disclosed
EP-1828216-A2 GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2007-09-05 EP disclosed
EP-1730131-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZOL DERIVATIVES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-13 EP disclosed
US-20060142210-A1 Glucopyranosyl-substituted benzene derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US disclosed
WO-2006064033-A2 GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-22 WO disclosed
WO-2005092877-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZOL DERIVATIVES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 WO 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 (5 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-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, SLC5A1 DHFR 1766/4885NQO1 978/4885APP 1001/4885
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 DHFR 1789/4885NQO1 1395/4885APP 1891/4885
US-20120296080-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, G6PC1 DHFR 1612/4885NQO1 829/4885APP 1125/4885
US-20060142210-A1 Glucopyranosyl-substituted benzene derivatives, medicaments containing such compounds, their use and process for their manufacture UGGT1, SLC5A1, SLC5A2 DHFR 1692/4885NQO1 333/4885APP 1055/4885
US-20140046046-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, SLC5A1 DHFR 1766/4885NQO1 978/4885APP 1001/4885

“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.