SCHEMBL25856273

SCHEMBL25856273

O=C([C@@H]1O[C@H](CCO)[C@H](O)[C@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.50
LGALS1 P09382 9/20 0.50
LGALS8 O00214 1/20 0.50

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
SCHEMBL25857561 0.97 LGALS3 (0.47) LGALS3LGALS1LGALS8
SCHEMBL24028106 0.94 LGALS3 (0.58) LGALS3LGALS1LGALS8
SCHEMBL24028033 0.91 LGALS3 (0.55) LGALS3LGALS1LGALS8
SCHEMBL24028023 0.85 LGALS3 (0.57) LGALS3LGALS1LGALS8
SCHEMBL25855505 0.85 LGALS3 (0.55) LGALS3LGALS1LGALS8
SCHEMBL25855489 0.85 LGALS3 (0.55) LGALS3LGALS1LGALS8
SCHEMBL24028241 0.84 LGALS3 (0.54) LGALS3LGALS1LGALS8
SCHEMBL30261847 0.84 LGALS3 (0.54) LGALS3LGALS1LGALS8
SCHEMBL24028022 0.84 LGALS3 (0.55) LGALS3LGALS1LGALS8
SCHEMBL24028127 0.83 LGALS3 (0.54) LGALS3LGALS1LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP LGALS3 1/4885LGALS1 2/4885LGALS8 7/4885

“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.