SCHEMBL22012893

SCHEMBL22012893

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CHRNA7 P36544 1/20 0.39
LMNA P02545 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 3/20 0.36
TSHR P16473 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34
XBP1 P17861 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL21962495 0.75 CHRNA7 (0.42) CHRNA7PTGS2PTGS1GPR119TLR8
SCHEMBL22012887 0.74 ABCC9 (0.36) ALDH1A1SMN1; SMN2MAPTTP53HTT
SCHEMBL21962390 0.73 CHRNA7 (0.59) ALDH1A1CHRNA7PTGS2PTGS1
SCHEMBL19127911 0.72 CHRNA7 (0.45) ALDH1A1CHRNA7LMNASMN1; SMN2HTT
SCHEMBL20692252 0.71 CHRNA7 (0.42) ALDH1A1CHRNA7LMNASMN1; SMN2MAPT
SCHEMBL25034031 0.70 CA1 (0.35) ALDH1A1CHRNA7MAPTPIK3CDPIK3CB
SCHEMBL21971206 0.70 GAA (0.52) ALDH1A1SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL21893033 0.69 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL10680402 0.68 KEAP1 (0.48) ALDH1A1LMNATSHRKMT2A
SCHEMBL21893040 0.68 CHRNB2 (0.46) ALDH1A1CHRNA7LMNAMAPTPTGS1

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
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US 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 ALDH1A1 1999/4885CHRNA7 4623/4885LMNA 1759/4885

“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.