SCHEMBL2638121

SCHEMBL2638121

Clc1ccc(Br)cc1Cc1ccc(OC2CCOC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 14/20 0.59
SLC5A1 P13866 8/20 0.59
ALK Q9UM73 1/20 0.39
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
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
SCHEMBL2870718 1.00 SLC5A2 (0.59) SLC5A2SLC5A1ALKHTR2ASLC6A4
SCHEMBL29882671 1.00 SLC5A2 (0.59) SLC5A2SLC5A1ALKHTR2ASLC6A4
SCHEMBL29740488 1.00 SLC5A2 (0.59) SLC5A2SLC5A1ALKHTR2ASLC6A4
SCHEMBL2638119 1.00 SLC5A2 (0.59) SLC5A2SLC5A1ALKHTR2ASLC6A4
SCHEMBL2638466 0.93 SLC5A2 (0.51) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL181205 0.90 SLC5A2 (0.48) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL30830341 0.88 SLC5A2 (0.61) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL19189964 0.87 SLC5A2 (0.60) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL3465613 0.86 SLC5A2 (0.59) SLC5A2SLC5A1PDE2APDE10AHRH3
SCHEMBL14949150 0.86 SLC5A2 (0.59) 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486837-A 4- (4-chloro-3- { [4- (tetrahydrofuran-3-oxy) phenyl ] methyl } phenoxy) butane-1-ol compound and preparation method thereof 湖北省宏源药业科技股份有限公司 2024-02-02 CN claimed
CN-117299223-A Synthetic method of intermediate for preparing enggliflozin 沧州那瑞化学科技有限公司 2023-12-29 CN claimed
CN-113480497-B Synthetic method of empagliflozin key intermediate 山东铂源药业股份有限公司 2023-02-28 CN claimed
WO-2023005587-A1 SYNTHESIS METHOD FOR EMPAGLIFLOZIN KEY INTERMEDIATE 山东铂源药业股份有限公司 2023-02-02 WO claimed
CN-113563318-A Synthesis method of engagliflozin 山东铂源药业有限公司 2021-10-29 CN claimed
CN-113480497-A Synthesis method of empagliflozin key intermediate 山东铂源药业有限公司 2021-10-08 CN claimed
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
CN-107556302-B Method for preparing empagliflozin 中国医药集团总公司四川抗菌素工业研究所 2019-12-13 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
JP-4834080-B2 2011-12-07 JP 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
EP-1881990-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATIVES AND INTERMEDIATES THEREIN Boehringer Ingelheim International GmbH (DE) 2008-01-30 EP claimed
WO-2006120208-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATIVES AND INTERMEDIATES THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 WO 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
CN-117486837-A 4- (4-chloro-3- { [4- (tetrahydrofuran-3-oxy) phenyl ] methyl } phenoxy) butane-1-ol compound and preparation method thereof 湖北省宏源药业科技股份有限公司 2024-02-02 CN disclosed
CN-117299223-A Synthetic method of intermediate for preparing enggliflozin 沧州那瑞化学科技有限公司 2023-12-29 CN disclosed
WO-2006120208-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATIVES AND INTERMEDIATES THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 WO disclosed
US-20060258749-A1 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivatives and intermediates therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 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 (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-20060258749-A1 Processes for preparing of glucopyranosyl-substituted benzyl-benzene derivatives and intermediates therein UGGT1, B3GAT3, B4GALT1 SLC5A2 120/4885SLC5A1 111/4885ALK 2339/4885
US-20100240879-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATES AND INTERMEDIATES THEREIN UGGT1, B3GAT3, B4GALT1 SLC5A2 123/4885SLC5A1 85/4885ALK 2147/4885

“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.