SCHEMBL23620929

SCHEMBL23620929

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2F)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 0.62
F13A1 P00488 10/20 0.62
TGM1 P22735 7/20 0.62
TGM3 Q08188 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.47
GPR119 Q8TDV5 4/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL30307817 1.00 TGM2 (0.62) TGM2F13A1TGM1TGM3ALDH1A1
SCHEMBL27200534 0.84 TGM2 (0.64) TGM2F13A1TGM1PKMGPR119
SCHEMBL5442111 0.84 TGM2 (0.64) TGM2F13A1TGM1TGM3ALDH1A1
SCHEMBL20502523 0.83 ALDH1A1 (0.53) TGM2F13A1TGM1ALDH1A1PKM
SCHEMBL2378926 0.83 TGM2 (0.56) TGM2F13A1TGM1PKMGPR119
SCHEMBL23620982 0.83 GPR119 (0.52) TGM2F13A1GPR119CA2
SCHEMBL31165481 0.83 TGM2 (0.56) TGM2F13A1TGM1PKMGPR119
SCHEMBL23620938 0.82 GPR119 (0.52) GPR119CA2
SCHEMBL30307819 0.82 GPR119 (0.52) GPR119CA2
SCHEMBL23620954 0.82 GPR119 (0.55) GPR119CA2

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 TGM2 2068/4885F13A1 947/4885TGM1 1830/4885

“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.