SCHEMBL181109

SCHEMBL181109

COc1ccc(Cc2cc(Br)ccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 14/20 0.50
SLC5A1 P13866 7/20 0.50
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL30263682 1.00 SLC5A2 (0.50) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL3683414 0.89 SLC5A2 (0.51) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL15397883 0.85 HTR2A (0.42) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL29386304 0.84 SLC5A2 (0.53) SLC5A2SLC5A1ALDH1A1GAAMAPT
SCHEMBL38150 0.84 SLC5A2 (0.53) SLC5A2SLC5A1ALDH1A1GAAMAPT
SCHEMBL30017880 0.83 HTR2A (0.40) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL29442727 0.83 DHODH (0.44) HTR2ASLC6A4KCNH2MEN1KMT2A
SCHEMBL18322528 0.83 DHODH (0.44) HTR2ASLC6A4KCNH2MEN1KMT2A
SCHEMBL24593196 0.83 HTR2A (0.43) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL19303580 0.83 HTR2A (0.43) SLC5A2SLC5A1HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114288972-B Reaction equipment for dapagliflozin intermediate and preparation method thereof 浙江拓普药业股份有限公司 2024-04-12 CN claimed
CN-115073271-A Preparation method of 4' - (5-bromo-2-chlorobenzyl) phenol 苏州敬业医药化工有限公司 2022-09-20 CN claimed
CN-118063294-A Efficient preparation method of dapagliflozin intermediate 山东新时代药业有限公司 2024-05-24 CN disclosed
EP-3634970-B1 NOVEL PROCESS FOR PREPARATION OF EMPAGLIFLOZIN OR ITS CO-CRYSTALS, SOLVATES AND THEIR POLYMORPHS THEREOF LAURUS LABS LTD (IN) 2023-07-19 EP disclosed
CN-115716821-A Method for continuously producing englezin by using microchannel reactor 恒升德康(南京)医药科技有限公司 2023-02-28 CN disclosed
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 disclosed
US-11548906-B2 Processes for the preparation of SGLT-2 inhibitors, intermediates thereof EMMENNAR PHARMA PRIVATE LIMITED (IN) 2023-01-10 US disclosed
US-11548906-B2 Processes for the preparation of SGLT-2 inhibitors, intermediates thereof EMMENNAR PHARMA PRIVATE LIMITED (IN) 2023-01-10 US disclosed
CN-115073271-A Preparation method of 4' - (5-bromo-2-chlorobenzyl) phenol 苏州敬业医药化工有限公司 2022-09-20 CN disclosed
CN-114288972-A Reaction equipment for dapagliflozin intermediate and preparation method thereof 浙江拓普药业股份有限公司 2022-04-08 CN disclosed
US-20210388015-A1 GLUCOPYRANOSE DERIVATIVES USEFUL AS SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-12-16 US disclosed
US-20060009400-A1 D-xylopyranosyl-substituted phenyl derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-12 US 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
US-6936590-B2 C-aryl glucoside SGLT2 inhibitors and method BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
EP-1224195-B1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-05-18 EP disclosed
US-20030114390-A1 C-aryl glucoside SGLT2 inhibitors and method ASTRAZENECA AB (SE) 2003-06-19 US disclosed
EP-1224195-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
US-6414126-B1 ANTIDIABETIC, ANTIOBESITY, ANTILIPEMIC, ANTIATHEROSCLEROTIC, ANTICOAGULANT, AND HYPOTENSIVE AGENTS; MARKUSH ENCOMPASSING DAPAGLIFOZIN AND DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US disclosed
WO-2001027128-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 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 (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-20030114390-A1 C-aryl glucoside SGLT2 inhibitors and method SLC5A2, SLC5A1, UGGT1 SLC5A2 1/4885SLC5A1 2/4885HTR2A 1688/4885
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 1/4885HTR2A 2064/4885
US-20060009400-A1 D-xylopyranosyl-substituted phenyl derivatives, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 SLC5A2 2/4885SLC5A1 1/4885HTR2A 1459/4885
US-11548906-B2 Processes for the preparation of SGLT-2 inhibitors, intermediates thereof SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885HTR2A 2462/4885
US-20210388015-A1 GLUCOPYRANOSE DERIVATIVES USEFUL AS SGLT2 INHIBITORS SLC5A2, SLC5A1, UGGT1 SLC5A2 1/4885SLC5A1 2/4885HTR2A 1290/4885

“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.