SCHEMBL9949021

SCHEMBL9949021

CCCNC(=O)c1cn([C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CCC[C@H](n4cc(C(=O)NCCC)nn4)[C@H]3O)[C@@H]2O)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 1.00
▸ LGALS1 P09382 5/20 0.70
▸ LGALS9 O00182 10/20 0.57
▸ LGALS7; LGALS7B P47929 9/20 0.57
▸ LGALS8 O00214 7/20 0.57

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
SCHEMBL10067561 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL15883834 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL10067559 0.85 LGALS3 (0.74) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL19580099 0.82 LGALS3 (0.73) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL176296 0.82 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL15872157 0.81 LGALS3 (0.68) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL15883835 0.77 LGALS3 (0.62) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL23374275 0.74 LGALS3 (0.58) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL13385534 0.72 LGALS3 (0.87) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL3281932 0.72 LGALS3 (0.87) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8

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 9 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 claimed
US-20150320782-A1 Methods, compositions and kits for treating, modulating, or preventing ocular angiogenesis or fibrosis in a subject using a galectin protein inhibitor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 — — US claimed
US-8703720-B2 Galactoside inhibitors of galectins GALECTO BIOTECH AB (SE) 2014-04-22 — — US claimed
US-20120165277-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS FORSKARPATENT I SYD AB (SE) 2012-06-28 — — US claimed
EP-2424873-B1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (SE) 2017-11-15 — — EP disclosed
US-20170095496-A1 GALACTOSIDE INHIBITORS FOR NEW USES GALECTO BIOTECH AB (DK) 2017-04-06 — — US disclosed
US-20150320782-A1 Methods, compositions and kits for treating, modulating, or preventing ocular angiogenesis or fibrosis in a subject using a galectin protein inhibitor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 — — 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 (3 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-20150320782-A1 Methods, compositions and kits for treating, modulating, or preventing ocular angiogenesis or fibrosis in a subject using a galectin protein inhibitor LGALS1, LGALS2, LGALS3BP LGALS3 4/4885LGALS1 1/4885LGALS9 7/4885
US-20170095496-A1 GALACTOSIDE INHIBITORS FOR NEW USES LGALS1, LGALS2, LGALS3 LGALS3 3/4885LGALS1 1/4885LGALS9 9/4885

“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.

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