SCHEMBL146763

SCHEMBL146763

Cc1ccc(Cl)c(Cc2ccc(-c3cccc(C#N)n3)s2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.36
CTSS P25774 2/20 0.33
P2RX7 Q99572 1/20 0.33
EIF4E P06730 1/20 0.33
SLC5A2 P31639 5/20 0.33
SLC5A1 P13866 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
AKT3 Q9Y243 1/20 0.31
CCR9 P51686 1/20 0.31
DRD4 P21917 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRM5 P41594 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
SCHEMBL147375 0.88 ADORA2A (0.38) ADORA2ACTSSSLC5A2SLC5A1MAPT
SCHEMBL147394 0.86 SLC5A2 (0.36) ADORA2ASLC5A2SLC5A1ADORA1MAPT
SCHEMBL22782192 0.84 SLC5A2 (0.41) ADORA2ASLC5A2SLC5A1ADORA1MAPT
SCHEMBL14641835 0.80 SLC5A2 (0.42) SLC5A2SLC5A1MAPTLMNA
SCHEMBL14278458 0.76 CYP2A6 (0.45) SLC5A2SLC5A1MAPTTP53TDP1
SCHEMBL147516 0.75 KDM4E (0.42) ADORA2ASLC5A2ADORA1MAPTGAA
SCHEMBL10160856 0.75 KMT2A (0.40) ADORA2ACTSSMAPTGAA
SCHEMBL10130820 0.74 IDH1 (0.40) ADORA2ACTSS
SCHEMBL22782191 0.73 ADORA2A (0.33) ADORA2ACTSS
SCHEMBL147564 0.73 ADORA2A (0.40) ADORA2ACTSSADORA1MAPTLMNA

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-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-20160108078-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-21 US disclosed
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-21 US 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-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-8785403-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-22 US disclosed
EP-1651658-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2013-01-16 EP disclosed
US-8222219-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-07-17 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-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-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-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-20110105424-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-05 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 (4 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 ADORA2A 1452/4885CTSS 2563/4885P2RX7 1300/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 ADORA2A 1452/4885CTSS 2563/4885P2RX7 1300/4885
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 ADORA2A 1452/4885CTSS 2563/4885P2RX7 1300/4885
US-20140296506-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 ADORA2A 1452/4885CTSS 2563/4885P2RX7 1300/4885

“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.