SCHEMBL23866658

SCHEMBL23866658

COc1cc(OS(=O)(=O)C(F)(F)F)ccc1[S@+](C)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.38
HTR1A P08908 4/20 0.38
HTR1B P28222 4/20 0.38
HSD11B1 P28845 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
CXCR2 P25025 2/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CXCR1 P25024 1/20 0.33
CHRM1 P11229 2/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL11700890 0.82 HSD11B1 (0.38) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL8501949 0.80 CA1 (0.53) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL3125396 0.78 SMN1; SMN2 (0.42) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL6935409 0.74 CA12 (0.55) CA1CA2SMN1; SMN2
SCHEMBL22444694 0.74 MAPK1 (0.47) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL6360991 0.74 HSD11B1 (0.46) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL6938157 0.74 CA12 (0.55) CA1CA2SMN1; SMN2
SCHEMBL3198514 0.74 ALDH1A1 (0.51) HSD11B1CXCR2SMN1; SMN2
SCHEMBL2001499 0.74 ALDH1A1 (0.63) CA1CA2
SCHEMBL11703147 0.73 CXCR2 (0.42) HTR1DHTR1AHTR1BHSD11B1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037328-B2 Compounds containing 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) 2024-07-16 US disclosed
US-20210300907-A1 COMPOUNDS CONTAINING 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) 2021-09-30 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-20210300907-A1 COMPOUNDS CONTAINING 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, GPR3, GPR39 HTR1D 288/4885HTR1A 421/4885HTR1B 220/4885
US-12037328-B2 Compounds containing 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, GPR3, GPR39 HTR1D 288/4885HTR1A 421/4885HTR1B 220/4885

“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.