SCHEMBL17309342

SCHEMBL17309342

CCCCO[C@H]1C(CO)O[C@H](Sc2ccccc2)[C@@H](O)C1OC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 7/20 0.57
LGALS9 O00182 6/20 0.57
LGALS1 P09382 6/20 0.57
LGALS7; LGALS7B P47929 5/20 0.57
LGALS8 O00214 3/20 0.46
MAOB P27338 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PTPN1 P18031 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR5 P35346 1/20 0.37
LGALS4 P56470 1/20 0.36
SELP P16109 1/20 0.36

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
SCHEMBL12642964 0.92 LGALS9 (0.51) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL16329927 0.92 LGALS9 (0.51) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL19089985 0.86 LGALS3 (0.59) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL16623018 0.85 LGALS3 (0.57) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL19090197 0.84 LGALS3 (0.80) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL17309354 0.84 LGALS3 (0.80) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL16329928 0.84 LGALS3 (0.46) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL12642966 0.84 LGALS3 (0.46) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL17050870 0.82 LGALS9 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL16326778 0.82 LGALS9 (0.42) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189438-A1 DI- and Tri-Cationic Glycosylated Antitumor Ether Lipids, L-Gucosylated Gaels and Rhamnose-Linked Gaels as Cytotoxic Agents Against Epithelial Cancer Cells and Cancer Stem Cells THE UNIV OF MANITOBA (CA) 2017-07-06 US disclosed
WO-2015179983-A1 DI- AND TRI-CATIONIC GLYCOSYLATED ANTITUMOR ETHER LIPIDS, L-GUCOSYLATED GAELS AND RHAMNOSE-LINKED GAELS AS CYTOTOXIC AGENTS AGAINST EPITHELIAL CANCER CELLS AND CANCER STEM CELLS THE UNIVERSITY OF MANITOBA (CA) 2015-12-03 WO 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 (1 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-20170189438-A1 DI- and Tri-Cationic Glycosylated Antitumor Ether Lipids, L-Gucosylated Gaels and Rhamnose-Linked Gaels as Cytotoxic Agents Against Epithelial Cancer Cells and Cancer Stem Cells UGCG, PNLIP, B3GAT3 LGALS3 31/4885LGALS9 176/4885LGALS1 59/4885

“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.