SCHEMBL24979080

SCHEMBL24979080

CC(C)n1cc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.44
ACHE P22303 2/20 0.39
NAMPT P43490 11/20 0.38
CYP2C9 P11712 5/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 2/20 0.34
KIT P10721 1/20 0.33
AURKA O14965 1/20 0.32
LIMK1 P53667 1/20 0.32
AURKB Q96GD4 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL22015587 0.88 KIT (0.43) NLRP3ACHENAMPTKITALDH1A1
SCHEMBL29838853 0.81 NLRP3 (0.41) NLRP3NAMPT
SCHEMBL21963145 0.74 ACHE (0.35) NLRP3ACHENAMPTCYP2C9CYP2C19
SCHEMBL24979079 0.74 ACHE (0.35) NLRP3ACHENAMPTCYP2C9CYP2C19
SCHEMBL18007714 0.73 NLRP3 (0.44) NLRP3ACHENAMPTCYP2C9CYP2C19
SCHEMBL18029805 0.73 ACHE (0.42) NLRP3ACHENAMPTCYP2C9CYP2C19
SCHEMBL22021176 0.73 ADORA2A (0.31)
SCHEMBL27026402 0.73 NLRP3 (0.54) NLRP3ACHENAMPTCYP2C9CYP2C19
SCHEMBL24978306 0.72 ADORA2A (0.35) CYP2C9CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL28184544 0.71 ACHE (0.45) NLRP3ACHENAMPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885ACHE 4177/4885NAMPT 92/4885

“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.