SCHEMBL23620971

SCHEMBL23620971

CC(C)(C)OC(=O)N1CC([S+]([O-])c2ccc(S(N)(=O)=O)cc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.43
HSD11B1 P28845 2/20 0.40
CHRNA7 P36544 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
USP30 Q70CQ3 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL23620946 0.90 GPR119 (0.50) GPR119CHRNA7
SCHEMBL20502297 0.90 GPR119 (0.50) GPR119CHRNA7
SCHEMBL30307823 0.90 GPR119 (0.50) GPR119CHRNA7
SCHEMBL23620970 0.79 CA2 (0.47) GPR119USP30
SCHEMBL23620947 0.79 CA2 (0.48) GPR119CHRNA7USP30
SCHEMBL20502304 0.79 GPR119 (0.54) GPR119
SCHEMBL23620950 0.79 GPR119 (0.54) GPR119
SCHEMBL23620982 0.76 GPR119 (0.52) GPR119CHRNA7
SCHEMBL23620959 0.74 CA1 (0.39) EPHX2NR1H4
SCHEMBL20502327 0.74 CA1 (0.39) EPHX2NR1H4

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 3054/4885HSD11B1 4701/4885CHRNA7 254/4885

“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.