SCHEMBL3773672

SCHEMBL3773672

Cc1ccc(I)cc1Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.42
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
SLC5A2 P31639 8/20 0.34
SLC5A1 P13866 6/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL16871894 0.85 PREP (0.39) PREPCA12CA1CA9SLC5A2
SCHEMBL1457146 0.85 PREP (0.40) PREPCA12CA1CA9SLC5A2
SCHEMBL26988111 0.82 PREP (0.46) PREPCA12CA1CA9APP
SCHEMBL3771475 0.78 APP (0.49) SLC5A2SLC5A1APP
SCHEMBL460784 0.77 PREP (0.39) PREPCA12CA1CA9SLC5A2
SCHEMBL15308132 0.76 SLC5A2 (0.51) SLC5A2SLC5A1APP
SCHEMBL1118830 0.75 PREP (0.50) PREPCA12CA1CA9APP
SCHEMBL14478161 0.75 PREP (0.44) PREPCA12CA1CA9
SCHEMBL9469042 0.74 BACE1 (0.34) PREP
SCHEMBL15086111 0.74 SLC5A2 (0.36) PREPCA12CA1CA9SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283326-B2 Crystalline form of 4-(beta-D-glucopyranos-1-yl)-1-methyl-2-[4-((S)-tetrahydrofuran-3-yloxy)-benzyl]-benzene, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-09 US disclosed
US-8283326-B2 Crystalline form of 4-(beta-D-glucopyranos-1-yl)-1-methyl-2-[4-((S)-tetrahydrofuran-3-yloxy)-benzyl]-benzene, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-09 US disclosed
US-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
EP-2086991-A1 CRYSTALLINE FORM OF 4-(ß-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2009-08-12 EP disclosed
WO-2008049923-A1 CRYSTALLINE FORM OF 4-(ß-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 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 (1 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-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS MGAT3, GANAB, MGAT2 PREP 2742/4885CA12 2542/4885CA1 2687/4885

“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.