SCHEMBL22012132

SCHEMBL22012132

CC(C)(O)c1cc(C#N)cc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 1/20 0.32
HSD11B1 P28845 1/20 0.32
BRD4 O60885 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KDM1A O60341 1/20 0.31
NR1H3 Q13133 1/20 0.31
ALPL P05186 1/20 0.31
SGK1 O00141 1/20 0.31
ACLY P53396 1/20 0.30

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
SCHEMBL22012922 0.86 PSEN1 (0.32) HSD11B1ACLY
SCHEMBL24592530 0.78 ACLY (0.33) CYP11B2SLC22A12CSNK1A1CSNK1DGSK3B
SCHEMBL22012109 0.76 PIK3R1 (0.34) CYP11B2SLC22A12
SCHEMBL24028363 0.76 KDM1A (0.48) HSD11B1BRD4KDM1A
SCHEMBL19475025 0.76 CA2 (0.41) HSD11B1NR1H3
SCHEMBL21962382 0.75 HSD11B1 (0.31) CYP11B2HSD11B1NR1H3
SCHEMBL22021471 0.75 HSD11B1 (0.33) CYP11B2HSD11B1NR1H3
SCHEMBL25067022 0.75 NLRP3 (0.46)
SCHEMBL24978417 0.74 ALDH1A1 (0.43) HSD11B1
SCHEMBL19519050 0.69 NLRP3 (0.59)

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 4 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
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 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
WO-2020102096-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 (2 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP11B2 63/4885SLC22A12 712/4885CSNK1A1 505/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP11B2 72/4885SLC22A12 788/4885CSNK1A1 496/4885

“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.