SCHEMBL155334

SCHEMBL155334

FCCOc1ccc2sc(Cc3cc(Br)ccc3Cl)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
SLC5A2 P31639 2/20 0.34
KCNH2 Q12809 3/20 0.33
HTR2A P28223 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.32
BACE1 P56817 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APP P05067 1/20 0.31
MAPT P10636 1/20 0.31
SLC5A1 P13866 1/20 0.30
PDE2A O00408 2/20 0.30
SETD1B Q9UPS6 1/20 0.30

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
SCHEMBL1776710 0.91 CA12 (0.36) SLC6A4SLC6A2CA12CA1CA9
SCHEMBL152687 0.86 SLC6A4 (0.38) SLC6A4SLC6A2CA12CA1CA9
SCHEMBL144731 0.86 SLC6A4 (0.37) SLC6A4SLC6A2CA12CA1CA9
SCHEMBL152816 0.86 KMT2A (0.43) SLC6A4SLC5A2KCNH2HTR2AL3MBTL1
SCHEMBL153315 0.83 BACE1 (0.50) SLC6A4SLC5A2KCNH2HTR2ABACE1
SCHEMBL154269 0.80 L3MBTL1 (0.38) SLC6A4CA12CA1CA9SLC5A2
SCHEMBL154205 0.79 SLC5A2 (0.40) SLC6A4SLC5A2KCNH2HTR2AHSP90AA1
SCHEMBL158385 0.79 SLC5A2 (0.39) SLC6A4SLC5A2KCNH2HTR2AHSP90AA1
SCHEMBL155795 0.77 SLC6A4 (0.38) SLC6A4SLC6A2CA12CA1CA9
SCHEMBL154239 0.77 SLC5A2 (0.40) SLC5A2HSP90AA1SLC5A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282363-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-10-04 US disclosed
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-21 US disclosed
US-20140296506-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-10-02 US disclosed
US-8785403-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-22 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
US-20050233988-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2005-10-20 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 (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 SLC6A4 1396/4885SLC6A2 771/4885CA12 1329/4885
US-20050233988-A1 Novel compounds CYP1B1, CYP4B1, CYP2B6 SLC6A4 1583/4885SLC6A2 1093/4885CA12 977/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 SLC6A4 1396/4885SLC6A2 771/4885CA12 1329/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 SLC6A4 1396/4885SLC6A2 771/4885CA12 1329/4885
US-20180282363-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 SLC6A4 1396/4885SLC6A2 771/4885CA12 1329/4885
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 SLC6A4 1396/4885SLC6A2 771/4885CA12 1329/4885
US-20140296506-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 SLC6A4 1396/4885SLC6A2 771/4885CA12 1329/4885

“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.