SCHEMBL22979569

SCHEMBL22979569

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]1Br

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA9 Q16790 7/20 0.47
CA12 O43570 4/20 0.47
CA14 Q9ULX7 4/20 0.47
LGALS3 P17931 13/20 0.45

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
SCHEMBL23950966 1.00 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL29698543 1.00 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL22981049 1.00 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL23319607 0.96 CA1 (0.49) CA1CA2CA9CA12CA14
SCHEMBL18839031 0.96 CA1 (0.49) CA1CA2CA9CA12CA14
SCHEMBL22980071 0.92 LGALS3 (0.47) CA1CA2CA9CA12CA14
SCHEMBL23924592 0.91 CA1 (0.44) CA1CA2CA9CA12CA14
SCHEMBL20868319 0.90 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL22980596 0.88 LGALS3 (0.49) CA1CA2CA9CA12CA14
SCHEMBL23950968 0.88 CA1 (0.43) CA1CA2CA9CA12CA14

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 12 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
US-11970511-B2 Tetrahydropyran-based thiodisaccharide mimics as Galectin-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-30 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
EP-3807290-B1 TETRAHYDROPYRAN-BASED THIODISACCHARIDE MIMICS AS GALECTIN-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-03-30 EP disclosed
US-20210323991-A1 TETRAHYDROPYRAN-BASED THIODISACCHARIDE MIMICS AS GALECTIN-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-21 US 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 (5 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 CA1 3623/4885CA2 2515/4885CA9 2387/4885
US-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 CA1 1754/4885CA2 983/4885CA9 981/4885
US-11970511-B2 Tetrahydropyran-based thiodisaccharide mimics as Galectin-3 inhibitors LGALS3, LGALS1, LGALS3BP CA1 560/4885CA2 993/4885CA9 214/4885
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 CA1 3623/4885CA2 2515/4885CA9 2387/4885
US-20210323991-A1 TETRAHYDROPYRAN-BASED THIODISACCHARIDE MIMICS AS GALECTIN-3 INHIBITORS LGALS3, LGALS1, LGALS3BP CA1 560/4885CA2 993/4885CA9 214/4885

“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.