SCHEMBL29889496

SCHEMBL29889496

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

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.68
▸ LGALS1 P09382 2/20 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
SCHEMBL29889831 0.92 LGALS3 (0.63) LGALS3LGALS1
SCHEMBL29889516 0.91 LGALS3 (0.62) LGALS3LGALS1
SCHEMBL29889585 0.91 LGALS3 (0.62) LGALS3LGALS1
SCHEMBL29889551 0.91 LGALS3 (0.75) LGALS3LGALS1
SCHEMBL29889553 0.90 LGALS3 (0.65) LGALS3LGALS1
SCHEMBL29889760 0.90 LGALS3 (0.62) LGALS3LGALS1
SCHEMBL29889486 0.89 LGALS3 (0.64) LGALS3LGALS1
SCHEMBL29889177 0.88 LGALS3 (0.63) LGALS3LGALS1
SCHEMBL31681855 0.87 LGALS3 (0.63) LGALS3LGALS1
SCHEMBL31681856 0.86 LGALS3 (0.66) LGALS3LGALS1

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-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-29 — — 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-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 LGALS3 2/4885LGALS1 1/4885

“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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