SCHEMBL155105

SCHEMBL155105

CCc1ccc(C(O)c2cccs2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CNR2 P34972 1/20 0.40
PGR P06401 1/20 0.39
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
JAK3 P52333 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 3/20 0.37
CHEK2 O96017 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
EGFR P00533 1/20 0.35
NPC1 O15118 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
SCHEMBL7048885 0.77 CA1 (0.41) TOP2ATOP2BCYP3A4CYP2D6SLC6A2
SCHEMBL11746956 0.75 CNR2 (0.38) TSHRCNR2PGRTOP2ATOP2B
SCHEMBL13536831 0.73 KDM4E (0.47) JAK3CYP3A4CHEK2NPC1RAB9A
SCHEMBL6821962 0.73 TSHR (0.53) TSHRCNR2PGRTOP2ATOP2B
SCHEMBL11746946 0.71 CNR2 (0.41) TSHRCNR2MEN1GAAKMT2A
SCHEMBL13536830 0.71 GRM1 (0.42) TSHRCNR2PGRTOP2ATOP2B
SCHEMBL11747080 0.71 CNR2 (0.39) TSHRCNR2PGRTOP2ATOP2B
SCHEMBL11747070 0.70 CNR2 (0.43) TSHRCNR2KMT2AHSD17B10
SCHEMBL19172319 0.70 TSHR (0.53) TSHRCNR2PGRTOP2ATOP2B
SCHEMBL30940073 0.69 TSHR (0.49) TSHRCNR2PGRTOP2ATOP2B

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 22 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
EP-2514756-A1 Novel compounds having inhibitory activity against sodium-dependant glucose transporter Mitsubishi Tanabe Pharma Corporation (JP) 2012-10-24 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
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 TSHR 4300/4885CNR2 1163/4885PGR 1037/4885
US-20050233988-A1 Novel compounds CYP1B1, CYP4B1, CYP2B6 TSHR 3847/4885CNR2 111/4885PGR 334/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 TSHR 4300/4885CNR2 1163/4885PGR 1037/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 TSHR 4300/4885CNR2 1163/4885PGR 1037/4885
US-20180282363-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 TSHR 4300/4885CNR2 1163/4885PGR 1037/4885
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 TSHR 4300/4885CNR2 1163/4885PGR 1037/4885
US-20140296506-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 TSHR 4300/4885CNR2 1163/4885PGR 1037/4885

“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.