SCHEMBL153235

SCHEMBL153235

Clc1c(Br)cccc1Cc1cc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
ADRB2 P07550 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CTRC Q99895 1/20 0.45
AGXT P21549 1/20 0.43
ADRA1D P25100 2/20 0.43
SLC5A2 P31639 9/20 0.42
SLC5A1 P13866 7/20 0.41
IDH1 O75874 1/20 0.39
NR1D1 P20393 1/20 0.38
NR1H3 Q13133 1/20 0.38
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL28202035 0.82 CYP2A6 (0.46) CYP2A6ADRB2ASIC3LOXL2CTRC
SCHEMBL28202032 0.82 CYP2A6 (0.50) CYP2A6ADRB2ASIC3LOXL2CTRC
SCHEMBL12782043 0.80 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL28202036 0.79 CYP2A6 (0.46) CYP2A6ADRB2ASIC3LOXL2CTRC
SCHEMBL28201913 0.79 CYP2A6 (0.50) CYP2A6ADRB2ASIC3LOXL2CTRC
SCHEMBL28954990 0.79 CYP2A6 (0.47) CYP2A6ADRB2ASIC3LOXL2CTRC
SCHEMBL28201924 0.79 CYP2A6 (0.43) CYP2A6ADRB2ASIC3LOXL2CTRC
SCHEMBL28856541 0.77 CYP2A6 (0.44) CYP2A6ADRB2ASIC3LOXL2CTRC
SCHEMBL158148 0.77 SLC5A2 (0.53) CYP2A6ADRB2ASIC3LOXL2CTRC
SCHEMBL16018607 0.76 CYP2A6 (0.47) CYP2A6ADRB2ASIC3LOXL2CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251679-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-12-16 EP disclosed
EP-2896397-B2 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-07 EP disclosed
EP-1651658-B2 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-08-12 EP disclosed
US-20180282363-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-10-04 US disclosed
CN-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed
EP-3251679-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER Mitsubishi Tanabe Pharma Corporation (JP) 2017-12-06 EP disclosed
EP-2896397-B1 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2017-09-06 EP disclosed
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-21 US disclosed
EP-2896397-A1 Novel compounds having inhibitory activity against sodium-dependant glucose transporter Mitsubishi Tanabe Pharma Corporation (JP) 2015-07-22 EP disclosed
EP-2514756-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2014-12-17 EP disclosed
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-10-11 US disclosed
US-8222219-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-07-17 US disclosed
US-8202984-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-19 US disclosed
US-20120058941-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-08 US disclosed
US-7943788-B2 Including the antidiabetic, antiobesity sodium glucose transport inhibitor Canagliflozin (1-( beta -D-glucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]benzene) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-17 US disclosed
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-05 US disclosed
CN-1829729-A Novel compounds TANABE SEIYAKU CO (JP) 2006-09-06 CN disclosed
EP-1651658-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER TANABE SEIYAKU CO., LTD. (JP) 2006-05-03 EP disclosed
US-20050233988-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2005-10-20 US disclosed
WO-2005012326-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER TANABE SEIYAKU CO., LTD. (JP) 2005-02-10 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 (6 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-20120058941-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CYP2A6 192/4885ADRB2 890/4885ASIC3 3844/4885
US-20050233988-A1 Novel compounds CYP1B1, CYP4B1, CYP2B6 CYP2A6 48/4885ADRB2 549/4885ASIC3 3472/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CYP2A6 192/4885ADRB2 890/4885ASIC3 3844/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CYP2A6 192/4885ADRB2 890/4885ASIC3 3844/4885
US-20180282363-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CYP2A6 192/4885ADRB2 890/4885ASIC3 3844/4885
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CYP2A6 192/4885ADRB2 890/4885ASIC3 3844/4885

“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.