SCHEMBL24420756

SCHEMBL24420756

CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.78
▸ LGALS9 O00182 4/20 0.64
▸ LGALS1 P09382 4/20 0.64

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
SCHEMBL24421026 0.96 LGALS3 (0.72) LGALS3LGALS9LGALS1
SCHEMBL22532578 0.94 LGALS3 (0.81) LGALS3LGALS9LGALS1
SCHEMBL24420719 0.92 LGALS3 (0.82) LGALS3LGALS9LGALS1
SCHEMBL24421012 0.91 LGALS3 (0.81) LGALS3LGALS9LGALS1
SCHEMBL24420542 0.90 LGALS3 (0.74) LGALS3LGALS9LGALS1
SCHEMBL24421225 0.90 LGALS3 (0.80) LGALS3LGALS9LGALS1
SCHEMBL24420541 0.90 LGALS3 (0.80) LGALS3LGALS9LGALS1
SCHEMBL24420516 0.90 LGALS3 (0.80) LGALS3LGALS9LGALS1
SCHEMBL24421214 0.89 LGALS3 (0.66) LGALS3LGALS9LGALS1
SCHEMBL22532545 0.88 LGALS3 (0.61) LGALS3LGALS9LGALS1

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-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-05-12 — — 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-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS3BP, LGALS1 LGALS3 1/4885LGALS9 5/4885LGALS1 3/4885

“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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