SCHEMBL23525263

SCHEMBL23525263

O=S(=O)(Oc1ccc2c(c1)OC1(CCCCC1)S2)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
DRD2 P14416 5/20 0.34
DRD3 P35462 5/20 0.34
CHRM1 P11229 4/20 0.34
DRD4 P21917 4/20 0.34
CNR2 P34972 5/20 0.34
HSD11B1 P28845 1/20 0.33
HTR1D P28221 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30

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
SCHEMBL23525280 0.99 CA1 (0.36) CA1CA2DRD2DRD3CHRM1
SCHEMBL23525247 0.96 CA1 (0.36) CA1CA2DRD2DRD3CHRM1
SCHEMBL23525256 0.79 HSD11B1 (0.38) CA1CA2DRD2DRD3CHRM1
SCHEMBL23525255 0.75 CNR2 (0.36) CA1CA2DRD2DRD3CHRM1
SCHEMBL1933990 0.73 DRD2 (0.41) CA2DRD2DRD3CHRM1DRD4
SCHEMBL23525289 0.73 CHRM1 (0.35) CA1CA2DRD2DRD3CHRM1
SCHEMBL23525268 0.71 CHRM1 (0.35) CA1CA2DRD2DRD3CHRM1
SCHEMBL20893470 0.70 HSD11B1 (0.40) CA1CA2DRD2DRD3CHRM1
SCHEMBL13880121 0.68 HRH3 (0.39) DRD2DRD3CHRM1DRD4CNR2
SCHEMBL6938761 0.66 MAOB (0.47) CA2DRD2DRD3CHRM1DRD4

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-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2022-06-14 US disclosed
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2022-06-14 US disclosed
US-20210188825-A1 COMPOUNDS CONTAINING POLYSUBSTITUTED BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC. (CA) 2021-06-24 US disclosed
US-20210188825-A1 COMPOUNDS CONTAINING POLYSUBSTITUTED BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC. (CA) 2021-06-24 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 (2 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-20210188825-A1 COMPOUNDS CONTAINING POLYSUBSTITUTED BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 GPR119, GPR27, GCGR CA1 4489/4885CA2 789/4885DRD2 513/4885
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR27, GCGR CA1 4489/4885CA2 789/4885DRD2 513/4885

“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.