SCHEMBL9950117

SCHEMBL9950117

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.63
LGALS1 P09382 8/20 0.63
LGALS9 O00182 8/20 0.55
LGALS8 O00214 7/20 0.55
LGALS7; LGALS7B P47929 7/20 0.55

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
SCHEMBL168876 0.85 LGALS3 (0.46) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL17414602 0.79 LGALS3 (0.66) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL16258753 0.79 LGALS3 (0.66) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL13404799 0.79 LGALS3 (0.66) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL13385529 0.79 LGALS3 (0.66) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL3278577 0.79 LGALS3 (0.66) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL176296 0.77 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL9950114 0.74 LGALS3 (0.43) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL3277373 0.72 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL1425152 0.72 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424873-B1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (SE) 2017-11-15 EP disclosed
US-20140200190-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (SE) 2014-07-17 US disclosed
US-8703720-B2 Galactoside inhibitors of galectins GALECTO BIOTECH AB (SE) 2014-04-22 US disclosed
US-20120165277-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS FORSKARPATENT I SYD AB (SE) 2012-06-28 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 (2 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-20120165277-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS3, LGALS2 LGALS3 2/4885LGALS1 1/4885LGALS9 8/4885
US-20140200190-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS3, LGALS2 LGALS3 2/4885LGALS1 1/4885LGALS9 8/4885

“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.