SCHEMBL23620946

SCHEMBL23620946

CC(C)(C)OC(=O)N1CCC([S+]([O-])c2ccc(S(N)(=O)=O)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.50
STS P08842 3/20 0.44
DPP4 P27487 1/20 0.43
MMP13 P45452 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL30307823 1.00 GPR119 (0.50) GPR119STSDPP4MMP13CHRNA7
SCHEMBL20502297 1.00 GPR119 (0.50) GPR119STSDPP4MMP13CHRNA7
SCHEMBL23620971 0.90 GPR119 (0.43) GPR119CHRNA7
SCHEMBL20502304 0.85 GPR119 (0.54) GPR119
SCHEMBL23620950 0.85 GPR119 (0.54) GPR119DPP4
SCHEMBL23620941 0.84 GPR119 (0.46) GPR119STSMMP13
SCHEMBL20502327 0.84 CA1 (0.39)
SCHEMBL23620959 0.84 CA1 (0.39)
SCHEMBL20502574 0.80 GPR119 (0.52) GPR119STSDPP4MMP13
SCHEMBL23620938 0.80 GPR119 (0.52) GPR119STSDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596059-B1 HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
CN-110392679-B Heterocyclic compounds useful as dual ATX/CA inhibitors 豪夫迈·罗氏有限公司 2023-04-07 CN disclosed
US-11059794-B2 Heterocyclic compounds useful as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-07-13 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 (1 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-11059794-B2 Heterocyclic compounds useful as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 GPR119 3054/4885STS 3566/4885DPP4 2754/4885

“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.