SCHEMBL23554528

SCHEMBL23554528

C[C@@H]1C[C@@H](COc2ccc(-c3ccc4c(c3)O[C@@](C)(F)S4(=O)=O)cc2F)CCN1c1ncc(Cl)cn1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 4/20 0.32
▸ TLR8 Q9NR97 4/20 0.32
▸ TLR7 Q9NYK1 4/20 0.32
▸ GPR119 Q8TDV5 3/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ MTOR P42345 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
SCHEMBL23554270 1.00 TLR9 (0.32) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL23554302 1.00 TLR9 (0.32) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL23554049 1.00 TLR9 (0.32) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL23554267 1.00 TLR9 (0.32) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL23554120 1.00 TLR9 (0.32) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL23554294 1.00 TLR9 (0.32) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL23554268 1.00 TLR9 (0.32) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL21398243 0.86 GPR119 (0.34) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL21398183 0.86 GPR119 (0.34) TLR9TLR8TLR7GPR119KCNH2
SCHEMBL21398188 0.86 GPR119 (0.34) TLR9TLR8TLR7GPR119KCNH2

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-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

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 TLR9 379/4885TLR8 833/4885TLR7 191/4885
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 TLR9 379/4885TLR8 833/4885TLR7 191/4885

“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.

Send feedback