SCHEMBL23620941

SCHEMBL23620941

CC(C)(C)OC(=O)N1CCC([S+]([O-])c2ccc(S(N)(=O)=O)c(F)c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.46
STS P08842 3/20 0.42
MMP13 P45452 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL23620931 0.85 GPR119 (0.48) GPR119MMP13
SCHEMBL30307823 0.84 GPR119 (0.50) GPR119STSMMP13
SCHEMBL20502297 0.84 GPR119 (0.50) GPR119STSMMP13
SCHEMBL23620946 0.84 GPR119 (0.50) GPR119STSMMP13
SCHEMBL23620932 0.80 GPR119 (0.47) GPR119STSCA12CA1CA2
SCHEMBL30307812 0.80 GPR119 (0.47) GPR119STSCA12CA1CA2
SCHEMBL20502393 0.78 CA2 (0.49) GPR119STSCA12CA1CA2
SCHEMBL23620977 0.77 GPR119 (0.52) GPR119CA2
SCHEMBL4773698 0.75 MEN1 (0.51) GPR119STSMMP13
SCHEMBL27200525 0.74 GPR119 (0.50) GPR119STS

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
EP-3596059-B1 HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2024-04-24 EP 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 3566/4885MMP13 1384/4885

“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.