SCHEMBL754270

SCHEMBL754270

CS(=O)(=O)OC[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA7 P43166 3/20 0.35
TSHR P16473 1/20 0.34
TACR1 P25103 2/20 0.34
MAPT P10636 2/20 0.34
SLC1A1 P43005 1/20 0.33
CA4 P22748 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
NR3C1 P04150 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL14372181 1.00 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL9344087 1.00 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL14747277 1.00 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL14747292 1.00 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL15721047 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL4619157 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL4619145 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL4621789 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL6102167 0.87 TBXAS1 (0.44) CA1CA2MMP2MMP3
SCHEMBL15892827 0.87 CA1 (0.42) CA1CA2CA9CA7TSHR

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
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 US disclosed
EP-1248779-B1 GLYCOSIDASE IHHIBITORS AND PREPARATION THEREOF UNIV FRASER SIMON (CA) 2012-03-21 EP disclosed
EP-2325179-A1 Glycosidase ihhibitors and preparation thereof SIMON FRASER UNIVERSITY (CA) 2011-05-25 EP disclosed
EP-1999124-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2008-12-10 EP disclosed
US-20070244184-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2007-10-18 US disclosed
WO-2007098597-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2007-09-07 WO disclosed
US-20060247222-A1 Glycosidase inhibitors and methods of synthesizing same SIMON FRASER UNIVERSITY (CA) 2006-11-02 US disclosed
EP-1653945-A2 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2006-05-10 EP disclosed
US-20050065139-A1 Glycosidase inhibitors and methods of synthesizing same MEDINNOVA PARTNERS INC. (CA) 2005-03-24 US disclosed
WO-2004113289-A2 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2004-12-29 WO disclosed
US-20030191104-A1 Glycosidase inhibitors and methods of synthesizing same SIMON FRASER UNIVERSITY (CA) 2003-10-09 US disclosed
US-6455573-B1 SYNTHESIZING SALACINOL, ITS STEREOISOMERS, AND NON-NATURALLY OCCURRING SELENIUM AND NITROGEN ANALOGUES THEREOF SIMON FRASER UNIVERSITY (CA) 2002-09-24 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-20030191104-A1 Glycosidase inhibitors and methods of synthesizing same STS, SCLY, ENGASE CA1 162/4885CA2 276/4885CA9 149/4885
US-20060247222-A1 Glycosidase inhibitors and methods of synthesizing same STS, SCLY, MGAM CA1 148/4885CA2 216/4885CA9 141/4885
US-20050065139-A1 Glycosidase inhibitors and methods of synthesizing same STS, SCLY, MGAM CA1 306/4885CA2 433/4885CA9 259/4885
US-20070244184-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME ENGASE, GBA3, STS CA1 244/4885CA2 187/4885CA9 82/4885

“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.