SCHEMBL22980596

SCHEMBL22980596

CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1SC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 18/20 0.49
LGALS1 P09382 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47

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
SCHEMBL29698553 0.96 LGALS3 (0.49) LGALS3LGALS1CA12CA1CA2
SCHEMBL23319608 0.90 LGALS3 (0.55) LGALS3LGALS1CA12CA1CA2
SCHEMBL23235318 0.90 LGALS3 (0.48) LGALS3LGALS1
SCHEMBL23950634 0.89 LGALS3 (0.57) LGALS3
SCHEMBL23924824 0.89 LGALS3 (0.57) LGALS3
SCHEMBL19665316 0.88 LGALS3 (0.49) LGALS3LGALS1CA12CA1CA2
SCHEMBL19681186 0.88 LGALS3 (0.49) LGALS3LGALS1CA12CA1CA2
SCHEMBL19680786 0.88 LGALS3 (0.49) LGALS3LGALS1CA12CA1CA2
SCHEMBL17993125 0.88 LGALS3 (0.49) LGALS3LGALS1CA12CA1CA2
SCHEMBL22979569 0.88 CA1 (0.47) LGALS3CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-09 US disclosed
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-02 US disclosed
EP-4010076-B1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-17 EP disclosed
EP-4010348-B1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-20 EP disclosed
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-06 US disclosed
US-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-29 US disclosed
EP-4010348-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-06-15 EP disclosed
EP-4010076-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-06-15 EP disclosed
WO-2021028336-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-02-18 WO disclosed
WO-2021028323-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-02-18 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 (4 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 1/4885CA12 1138/4885
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 LGALS3 2/4885LGALS1 1/4885CA12 2104/4885
US-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 LGALS3 2/4885LGALS1 1/4885CA12 1138/4885
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 LGALS3 2/4885LGALS1 1/4885CA12 2104/4885

“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.