SCHEMBL6102167

SCHEMBL6102167

COc1ccc(COC[C@H](OS(C)(=O)=O)[C@@H](OCc2ccc(OC)cc2)[C@@H](COS(C)(=O)=O)OCc2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
APLNR P35414 1/20 0.38
POLB P06746 2/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
ATM Q13315 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
SCHEMBL14747277 0.87 CA1 (0.35) CA1CA2MMP2MMP3
SCHEMBL14747292 0.87 CA1 (0.35) CA1CA2MMP2MMP3
SCHEMBL14372181 0.87 CA1 (0.35) CA1CA2MMP2MMP3
SCHEMBL9344087 0.87 CA1 (0.35) CA1CA2MMP2MMP3
SCHEMBL754270 0.87 CA1 (0.35) CA1CA2MMP2MMP3
SCHEMBL14413986 0.86 APLNR (0.40) TBXAS1CA1CA2APLNRPOLB
SCHEMBL14413962 0.86 APLNR (0.40) TBXAS1CA1CA2APLNRPOLB
SCHEMBL4619145 0.84 CA1 (0.35) CA1CA2MMP2MMP3
SCHEMBL15721047 0.84 CA1 (0.35) CA1CA2MMP2MMP3
SCHEMBL4621789 0.84 CA1 (0.35) CA1CA2MMP2MMP3

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 5 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
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 US disclosed
US-20070244184-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2007-10-18 US disclosed
US-20060247222-A1 Glycosidase inhibitors and methods of synthesizing same SIMON FRASER UNIVERSITY (CA) 2006-11-02 US disclosed
US-20050065139-A1 Glycosidase inhibitors and methods of synthesizing same MEDINNOVA PARTNERS INC. (CA) 2005-03-24 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 (3 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-20060247222-A1 Glycosidase inhibitors and methods of synthesizing same STS, SCLY, MGAM TBXAS1 2591/4885CA1 148/4885CA2 216/4885
US-20050065139-A1 Glycosidase inhibitors and methods of synthesizing same STS, SCLY, MGAM TBXAS1 2205/4885CA1 306/4885CA2 433/4885
US-20070244184-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME ENGASE, GBA3, STS TBXAS1 3611/4885CA1 244/4885CA2 187/4885

“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.