SCHEMBL21962390

SCHEMBL21962390

NS(=O)(=O)c1ccc(C2CCCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.59
CA1 P00915 12/20 0.51
CA2 P00918 12/20 0.51
CA9 Q16790 8/20 0.51
CA12 O43570 6/20 0.51
CA7 P43166 3/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
CA4 P22748 1/20 0.39
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL31028712 0.93 CHRNA7 (0.51) CHRNA7CA1CA2CA9CA12
SCHEMBL19127911 0.81 CHRNA7 (0.45) CHRNA7CA1CA2CA9CA12
SCHEMBL21962495 0.76 CHRNA7 (0.42) CHRNA7CA1CA2CA9CA12
SCHEMBL21327020 0.75 CHRNA7 (1.00) CHRNA7
SCHEMBL21327023 0.75 CHRNA7 (1.00) CHRNA7
SCHEMBL22343960 0.75 CHRNA7 (0.57) CHRNA7CA1CA2CA9CA12
SCHEMBL22012893 0.73 ALDH1A1 (0.40) CHRNA7PTGS1PTGS2ALDH1A1
SCHEMBL6841898 0.72 CHRNA7 (0.59) CHRNA7CA1CA2CA9CA12
SCHEMBL15636018 0.72 CHRNA7 (0.41) CHRNA7CA1CA2CA9CA12
SCHEMBL30366021 0.71 CHRNA7 (0.64) CHRNA7CA1CA2CA9CA12

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-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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 (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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CHRNA7 4623/4885CA1 3732/4885CA2 1210/4885

“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.