SCHEMBL20911353

SCHEMBL20911353

NC(=O)CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Sc1ccc(Cl)c(Cl)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 0.75
▸ LGALS8 O00214 1/20 0.75
▸ LGALS1 P09382 1/20 0.75
▸ LGALS4 P56470 1/20 0.75

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
SCHEMBL20899565 0.93 LGALS3 (1.00) LGALS3
SCHEMBL24089863 0.93 LGALS3 (1.00) LGALS3
SCHEMBL24089864 0.93 LGALS3 (1.00) LGALS3
SCHEMBL20899471 0.90 LGALS3 (0.83) LGALS3
SCHEMBL20911359 0.90 LGALS3 (1.00) LGALS3
SCHEMBL20899554 0.90 LGALS3 (0.86) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL20911334 0.90 LGALS3 (1.00) LGALS3
SCHEMBL24089849 0.89 LGALS3 (0.92) LGALS3
SCHEMBL24089850 0.89 LGALS3 (0.92) LGALS3
SCHEMBL20899559 0.89 LGALS3 (0.92) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072626-B2 Small molecule inhibitors of Galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-27 — — US disclosed
US-20200308213-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2020-10-01 — — US disclosed
WO-2019075045-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO 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 (2 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-20200308213-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP LGALS3 1/4885LGALS9 5/4885LGALS8 7/4885
US-11072626-B2 Small molecule inhibitors of Galectin-3 LGALS3, LGALS1, LGALS3BP LGALS3 1/4885LGALS9 5/4885LGALS8 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.

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