SCHEMBL21962495

SCHEMBL21962495

CC(C)(C)[Si](C)(C)N=S(N)(=O)c1ccc(C2CCCC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.42
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
TDO2 P48775 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL21810679 0.77 GCK (0.33) CHRNA7CA1CA2CA12CA9
SCHEMBL21962390 0.76 CHRNA7 (0.59) CHRNA7CA1CA2CA12CA9
SCHEMBL22012893 0.75 ALDH1A1 (0.40) CHRNA7PTGS2PTGS1GPR119TLR8
SCHEMBL21810625 0.71
SCHEMBL21810602 0.71 PIK3CD (0.34)
SCHEMBL21810621 0.70 ENPP2 (0.39) CA2PTGS2
SCHEMBL21906432 0.70 CA2 (0.47) CA1CA2CA12CA9PTGS2
SCHEMBL31028712 0.70 CHRNA7 (0.51) CHRNA7CA1CA2CA12CA9
SCHEMBL19127911 0.69 CHRNA7 (0.45) CHRNA7CA1CA2CA12CA9
SCHEMBL21722661 0.69 CA1 (0.42) CA1CA2CA12CA9

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.