SCHEMBL155484

SCHEMBL155484

FC(F)(F)c1ccc(Br)cc1Cc1cc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.43
ADRB2 P07550 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
SLC5A2 P31639 7/20 0.40
SLC5A1 P13866 3/20 0.40
ADRA1D P25100 2/20 0.40
CHRM1 P11229 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AGXT P21549 1/20 0.40
IDH1 O75874 1/20 0.36
CTRC Q99895 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL155503 0.85 SLC5A2 (0.53) CYP2A6ADRB2ASIC3LOXL2SLC5A2
SCHEMBL16018667 0.81 CYP2A6 (0.43) CYP2A6ADRB2ASIC3LOXL2SLC5A2
SCHEMBL154549 0.79 CYP2A6 (0.50) CYP2A6ADRB2ASIC3LOXL2SLC5A2
SCHEMBL158148 0.79 SLC5A2 (0.53) CYP2A6ADRB2ASIC3LOXL2SLC5A2
SCHEMBL158005 0.78 CYP2A6 (0.49) CYP2A6ADRB2ASIC3LOXL2SLC5A2
SCHEMBL12425724 0.78 CYP2A6 (0.49) CYP2A6ADRB2ASIC3LOXL2SLC5A2
Benzothiophene SCHEMBL5974867 0.77 SLC5A2 (0.47) CYP2A6ADRB2ASIC3LOXL2SLC5A2
SCHEMBL155731 0.76 SLC5A2 (0.55) CYP2A6ADRB2ASIC3LOXL2SLC5A2
SCHEMBL28201924 0.76 CYP2A6 (0.43) CYP2A6ADRB2ASIC3LOXL2SLC5A2
SCHEMBL150776 0.75 SLC5A2 (0.43) CYP2A6SLC5A2HDAC3HDAC1HDAC2

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 24 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
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-20140296506-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-10-02 US 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 (7 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
US-20140296506-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.