SCHEMBL3284465

SCHEMBL3284465

COC(=O)c1cn([C@@H]2[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](n4cc(C(=O)OC)nn4)[C@H]3OC(C)=O)[C@@H]2OC(C)=O)nn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 4/20 0.46
LGALS8 O00214 4/20 0.46
LGALS3 P17931 4/20 0.46
LGALS7; LGALS7B P47929 4/20 0.46
CA1 P00915 13/20 0.42
CA2 P00918 13/20 0.42
CA9 Q16790 13/20 0.42
CA12 O43570 11/20 0.42
CA14 Q9ULX7 9/20 0.42
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

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
SCHEMBL3284460 1.00 LGALS9 (0.46) LGALS9LGALS8LGALS3LGALS7; LGALS7BCA1
SCHEMBL13385523 0.93 CA1 (0.41) LGALS9LGALS8LGALS3LGALS7; LGALS7BCA1
SCHEMBL3277675 0.93 CA1 (0.41) LGALS9LGALS8LGALS3LGALS7; LGALS7BCA1
SCHEMBL23319209 0.92 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL168876 0.89 LGALS3 (0.46) LGALS9LGALS8LGALS3LGALS7; LGALS7BCA1
SCHEMBL3277182 0.88 CA9 (0.44) CA1CA2CA9CA12CA14
SCHEMBL3283519 0.88 CA9 (0.44) CA1CA2CA9CA12CA14
SCHEMBL3284473 0.87 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL3284468 0.87 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL1952902 0.81 CA1 (0.39) LGALS9LGALS3CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297174-B1 NOVEL SYNTHESIS OF GALACTOSIDE INHIBITORS GALECTO BIOTECH AB (DK) 2015-07-08 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 LGALS9 7/4885LGALS8 6/4885LGALS3 1/4885

“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.