SCHEMBL3277182

SCHEMBL3277182

COC(=O)c1cn([C@H]2[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]2OC(C)=O)nn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 16/20 0.44
CA1 P00915 15/20 0.44
CA2 P00918 15/20 0.44
CA12 O43570 9/20 0.44
CA14 Q9ULX7 9/20 0.44
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3283519 1.00 CA9 (0.44) CA9CA1CA2CA12CA14
SCHEMBL23319209 0.94 CA1 (0.46) CA9CA1CA2CA12CA14
SCHEMBL3284473 0.89 CA1 (0.42) CA9CA1CA2CA12CA14
SCHEMBL3284468 0.89 CA1 (0.42) CA9CA1CA2CA12CA14
SCHEMBL3284465 0.88 LGALS9 (0.46) CA9CA1CA2CA12CA14
SCHEMBL3284460 0.88 LGALS9 (0.46) CA9CA1CA2CA12CA14
SCHEMBL3277675 0.87 CA1 (0.41) CA9CA1CA2CA12CA14
SCHEMBL13385523 0.87 CA1 (0.41) CA9CA1CA2CA12CA14
SCHEMBL19597952 0.86 LGALS3 (0.47) CA9CA1CA2CA12CA14
SCHEMBL13076209 0.86 LGALS3 (0.47) CA9CA1CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679595-B1 Di-(3-deoxy-3-1H-1,2,3-triazol-1-yl)-beta-D-galacto-pyranosyl)sulfane derivatives as galectin-3 inhibitors GALECTO BIOTECH AB (DK) 2016-12-28 EP disclosed
EP-2297174-B1 NOVEL SYNTHESIS OF GALACTOSIDE INHIBITORS GALECTO BIOTECH AB (DK) 2015-07-08 EP disclosed
EP-2805961-A1 Novel 3-triazolyl-galactoside inhibitors of galectins Galecto Biotech AB (DK) 2014-11-26 EP disclosed
EP-1751172-B1 NOVEL 3-TRIAZOLYL-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (SE) 2014-07-09 EP disclosed
US-7700763-B2 3-triazolyl-galactoside inhibitors of galectins FORSKARPATENT I SYD AB (SE) 2010-04-20 US disclosed
US-20070185041-A1 NOVEL 3-TRIAZOLYL-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (SE) 2007-08-09 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 (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-20070185041-A1 NOVEL 3-TRIAZOLYL-GALACTOSIDE INHIBITORS OF GALECTINS LGALS3, LGALS1, LGALS3BP CA9 1988/4885CA1 2157/4885CA2 1751/4885

“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.