SCHEMBL18668482

SCHEMBL18668482

CC(C)(C)OC(=O)N1CC2=C(C1)CN(C(=O)c1ccc(S(N)(=O)=O)cc1F)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.56
GPR119 Q8TDV5 5/20 0.42
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA7 P43166 1/20 0.41
GAA P10253 1/20 0.41
CHRNA7 P36544 1/20 0.41
USP30 Q70CQ3 1/20 0.39
SLC6A9 P48067 1/20 0.39
CPS1 P31327 1/20 0.38

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
SCHEMBL23620982 0.89 GPR119 (0.52) CA2GPR119CA1CA9CA12
SCHEMBL23628462 0.82 CA2 (0.58) CA2CA1CA9CA12CA14
SCHEMBL18668643 0.81 CA2 (0.65) CA2GPR119CA1CA9CA12
SCHEMBL20397185 0.81 CA2 (0.65) CA2GPR119CA1CA9CA12
SCHEMBL18668645 0.81 CA2 (0.65) CA2GPR119CA1CA9CA12
SCHEMBL29571591 0.81 CA2 (0.47) CA2GPR119CA1CA12CA7
SCHEMBL18668480 0.81 CA2 (0.47) CA2GPR119CA1CA12CA7
SCHEMBL23628480 0.79 CA2 (0.57) CA2CA1CA9CA12CA14
SCHEMBL28723643 0.79 CA2 (0.52) CA2CA1CA9CA12CA14
Hydrochloric Acid SCHEMBL22205231 0.78 CA2 (0.56) CA2CA1CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353178-B1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
US-20200223854-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-07-16 US disclosed
US-10647719-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US disclosed
US-20180215765-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-08-02 US disclosed
EP-3353178-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
WO-2017050791-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 WO 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 (3 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-20200223854-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CA2 238/4885GPR119 3243/4885CA1 1155/4885
US-20180215765-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CA2 473/4885GPR119 3213/4885CA1 1536/4885
US-10647719-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 CA2 238/4885GPR119 3243/4885CA1 1155/4885

“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.