SCHEMBL22821500

SCHEMBL22821500

CC(C)(C)n1cc(-c2cc(F)c(F)c(F)c2)nn1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 19/20 0.37
▸ LGALS1 P09382 3/20 0.37
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34

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
SCHEMBL22821501 0.85 LGALS3 (0.38) LGALS3LGALS1HSP90AA1HSP90AB1
SCHEMBL20868458 0.78 GSK3B (0.39) LGALS3LGALS1
SCHEMBL20812240 0.76 PTGS2 (0.47) HSP90AA1HSP90AB1
SCHEMBL15835844 0.75 CHRNB2 (0.47) LGALS3LGALS1
SCHEMBL23346361 0.74 LGALS3 (0.39) LGALS3LGALS1
SCHEMBL25494292 0.73 FLT3 (0.46) —
SCHEMBL26156421 0.71 CYP19A1 (0.45) —
SCHEMBL22821299 0.71 LGALS3 (0.39) LGALS3LGALS1
SCHEMBL25525236 0.69 MAPT (0.40) HSP90AA1HSP90AB1
SCHEMBL20812238 0.69 HSP90AA1 (0.55) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 — — US disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 — — US disclosed
US-11548908-B2 Heterobifunctional inhibitors of E-selectin and galectin-3 GLYCOMIMETICS, INC. (US) 2023-01-10 — — US disclosed
US-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 GLYCOMIMETICS, INC. (US) 2020-12-24 — — 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 (3 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-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 LGALS3, LGALS3BP, LGALS1 LGALS3 1/4885LGALS1 3/4885HSP90AA1 1533/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 LGALS3 1/4885LGALS1 3/4885HSP90AA1 2153/4885
US-11548908-B2 Heterobifunctional inhibitors of E-selectin and galectin-3 LGALS3, LGALS3BP, LGALS1 LGALS3 1/4885LGALS1 3/4885HSP90AA1 1533/4885

“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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