SCHEMBL3465613

SCHEMBL3465613

Clc1ccc(I)cc1Cc1ccc(O[C@@H]2CCOC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 16/20 0.59
SLC5A1 P13866 9/20 0.59
PDE2A O00408 2/20 0.37
PDE10A Q9Y233 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL29408422 1.00 SLC5A2 (0.59) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL1647749 1.00 SLC5A2 (0.59) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL29408423 1.00 SLC5A2 (0.59) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL29408425 1.00 SLC5A2 (0.59) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL1647750 1.00 SLC5A2 (0.59) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL2637466 0.93 SLC5A2 (0.51) SLC5A2SLC5A1HRH3
SCHEMBL30830341 0.88 SLC5A2 (0.61) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL28411163 0.87 SLC5A2 (0.49) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL28411159 0.87 SLC5A2 (0.49) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL19189964 0.87 SLC5A2 (0.60) SLC5A2SLC5A1PDE2APDE10AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN claimed
CN-111265512-A Composition containing a mixture of benzyl benzene derivatives and uses thereof 黄泳华 2020-06-12 CN claimed
EP-1881990-B1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATIVES AND INTERMEDIATES THEREIN BOEHRINGER INGELHEIM INT (DE) 2016-02-17 EP claimed
US-9127034-B2 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivates and intermediates therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US claimed
US-20100240879-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATES AND INTERMEDIATES THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US claimed
US-20060258749-A1 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivatives and intermediates therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 US claimed
US-11046676-B2 Process for preparation of empagliflozin or its co-crystals, solvates and their polymorphs thereof LAURUS LABS LIMITED (IN) 2021-06-29 US disclosed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN disclosed
CN-111265512-A Composition containing a mixture of benzyl benzene derivatives and uses thereof 黄泳华 2020-06-12 CN disclosed
US-20200131163-A1 NOVEL PROCESS FOR PREPARATION OF EMPAGLIFLOZIN OR ITS CO-CRYSTALS, SOLVATES AND THEIR POLYMORPHS THEREOF LAURUS LABS LIMITED (IN) 2020-04-30 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 (4 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-20200131163-A1 NOVEL PROCESS FOR PREPARATION OF EMPAGLIFLOZIN OR ITS CO-CRYSTALS, SOLVATES AND THEIR POLYMORPHS THEREOF SLC5A1, SLC5A2, DPP4 SLC5A2 2/4885SLC5A1 1/4885PDE2A 1495/4885
US-20060258749-A1 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivatives and intermediates therein UGGT1, B3GAT3, B4GALT1 SLC5A2 120/4885SLC5A1 111/4885PDE2A 3425/4885
US-20100240879-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATES AND INTERMEDIATES THEREIN UGGT1, B3GAT3, B4GALT1 SLC5A2 123/4885SLC5A1 85/4885PDE2A 3499/4885
US-11046676-B2 Process for preparation of empagliflozin or its co-crystals, solvates and their polymorphs thereof SLC5A2, SLC5A1, DPP4 SLC5A2 1/4885SLC5A1 2/4885PDE2A 1606/4885

“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.