SCHEMBL3277675

SCHEMBL3277675

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.41
CA2 P00918 14/20 0.41
CA9 Q16790 13/20 0.41
CA12 O43570 12/20 0.41
CA14 Q9ULX7 9/20 0.41
LGALS9 O00182 2/20 0.41
LGALS8 O00214 2/20 0.41
LGALS3 P17931 2/20 0.41
LGALS7; LGALS7B P47929 2/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
PARP1 P09874 1/20 0.40
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL13385523 1.00 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL3284460 0.93 LGALS9 (0.46) CA1CA2CA9CA12CA14
SCHEMBL3284465 0.93 LGALS9 (0.46) CA1CA2CA9CA12CA14
SCHEMBL23319209 0.91 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL3283519 0.87 CA9 (0.44) CA1CA2CA9CA12CA14
SCHEMBL3277182 0.87 CA9 (0.44) CA1CA2CA9CA12CA14
SCHEMBL3284473 0.86 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL3284468 0.86 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL168876 0.84 LGALS3 (0.46) CA1CA2CA9CA12CA14
SCHEMBL3284049 0.83 CA1 (0.46) CA1CA2CA9CA12CA14

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-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 CA1 2157/4885CA2 1751/4885CA9 1988/4885

“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.