SCHEMBL22980071

SCHEMBL22980071

CCO[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]1Br

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 13/20 0.47
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 4/20 0.46
CA14 Q9ULX7 4/20 0.46

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
SCHEMBL23319607 0.94 CA1 (0.49) LGALS3CA1CA2CA9CA12
SCHEMBL18839031 0.94 CA1 (0.49) LGALS3CA1CA2CA9CA12
SCHEMBL23950968 0.93 CA1 (0.43) LGALS3CA1CA2CA9CA12
SCHEMBL23235343 0.93 CA1 (0.43) LGALS3CA1CA2CA9CA12
SCHEMBL23950966 0.92 CA1 (0.47) LGALS3CA1CA2CA9CA12
SCHEMBL29698543 0.92 CA1 (0.47) LGALS3CA1CA2CA9CA12
SCHEMBL22981049 0.92 CA1 (0.47) LGALS3CA1CA2CA9CA12
SCHEMBL22979569 0.92 CA1 (0.47) LGALS3CA1CA2CA9CA12
SCHEMBL23924592 0.91 CA1 (0.44) LGALS3CA1CA2CA9CA12
SCHEMBL20868319 0.89 CA1 (0.47) LGALS3CA1CA2CA9CA12

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 9 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
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 (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-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 LGALS3 2/4885CA1 3623/4885CA2 2515/4885
US-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 LGALS3 2/4885CA1 1754/4885CA2 983/4885
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 LGALS3 2/4885CA1 3623/4885CA2 2515/4885

“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.