SCHEMBL223457

SCHEMBL223457

CC(=O)OCC1OC(OC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.73
THRB P10828 1/20 0.73
HSD17B10 Q99714 1/20 0.73
CA2 P00918 8/20 0.64
TSHR P16473 1/20 0.58
NR3C1 P04150 1/20 0.58
FYN P06241 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADRA2B P18089 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58
CA12 O43570 7/20 0.57
CA1 P00915 6/20 0.57
CA9 Q16790 5/20 0.57
CA4 P22748 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL7172174 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL116420 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL13901312 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL12732788 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL12942109 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL7151976 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL23266161 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL13410454 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL21945978 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL22330671 1.00 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR

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 12 patents. 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
US-20150175644-A1 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION UNIV BASEL (CH) 2015-06-25 US disclosed
US-9023813-B2 Synthesis and use of glycoside derivatives of propofol NuTek Pharma Ltd. (US) 2015-05-05 US disclosed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US disclosed
US-20120295866-A1 Synthesis And Use Of Glycoside Pro-Drug Analogs NuTek Pharma Ltd. 2012-11-22 US disclosed
US-20120264702-A1 Synthesis And Use Of Glycoside Derivatives of Propofol NuTek Pharma Ltd. 2012-10-18 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

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-20120295866-A1 Synthesis And Use Of Glycoside Pro-Drug Analogs GCG, CYP3A5, UGT1A6 CYP2D6 11/4885THRB 2875/4885HSD17B10 1558/4885
US-20120058941-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CYP2D6 115/4885THRB 3279/4885HSD17B10 549/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CYP2D6 115/4885THRB 3279/4885HSD17B10 549/4885
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 CYP2D6 2204/4885THRB 4704/4885HSD17B10 961/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CYP2D6 115/4885THRB 3279/4885HSD17B10 549/4885
US-20120264702-A1 Synthesis And Use Of Glycoside Derivatives of Propofol CYP3A5, CYP3A4, UGT1A4 CYP2D6 10/4885THRB 2227/4885HSD17B10 1340/4885
US-20150175644-A1 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION MAN2A1, MANBA, M6PR CYP2D6 2827/4885THRB 1427/4885HSD17B10 3301/4885

“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.