Sugi Predict

Sugi Predict / Compounds / SCHEMBL23852783

SCHEMBL23852783

SCHEMBL23852783

CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Sc1cncc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 1.00
▸ LGALS9 O00182 1/20 0.82
▸ LGALS8 O00214 1/20 0.82
▸ LGALS1 P09382 1/20 0.82
▸ LGALS4 P56470 1/20 0.82

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
SCHEMBL24213667 1.00 LGALS3 (1.00) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL24213673 0.94 LGALS3 (1.00) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL24213702 0.92 LGALS3 (1.00) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL24213707 0.92 LGALS3 (1.00) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL24213823 0.91 LGALS3 (1.00) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL24213668 0.91 LGALS3 (1.00) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL21858651 0.91 LGALS3 (0.83) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL24091221 0.91 LGALS3 (0.83) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL24213661 0.91 LGALS3 (1.00) LGALS3
SCHEMBL24213662 0.91 LGALS3 (1.00) LGALS3

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
EP-3883946-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS Galecto Biotech AB (DK) 2021-09-29 — — EP claimed
EP-3883946-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS Galecto Biotech AB (DK) 2021-09-29 — — EP disclosed
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