SCHEMBL25858142

SCHEMBL25858142

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.61
LGALS1 P09382 12/20 0.61
LGALS8 O00214 1/20 0.61

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
SCHEMBL22542393 0.92 LGALS3 (0.72) LGALS3LGALS1LGALS8
SCHEMBL22982002 0.83 LGALS3 (0.70) LGALS3LGALS1LGALS8
SCHEMBL25856273 0.82 LGALS3 (0.50) LGALS3LGALS1LGALS8
SCHEMBL25855498 0.81 LGALS3 (0.63) LGALS3LGALS1LGALS8
SCHEMBL22247289 0.81 LGALS3 (0.73) LGALS3LGALS1LGALS8
SCHEMBL22004385 0.80 LGALS3 (0.82) LGALS3LGALS1LGALS8
SCHEMBL30185321 0.80 LGALS3 (0.82) LGALS3LGALS1LGALS8
SCHEMBL26447294 0.80 LGALS3 (0.82) LGALS3LGALS1LGALS8
SCHEMBL24420750 0.80 LGALS3 (0.48) LGALS3LGALS1LGALS8
SCHEMBL25857561 0.80 LGALS3 (0.47) 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.