SCHEMBL22014885

SCHEMBL22014885

CC(C)(O)c1cccc(S(=N)(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
HTR6 P50406 2/20 0.37
CYP2C19 P33261 3/20 0.37
HSD11B1 P28845 2/20 0.37
ACHE P22303 1/20 0.37
CYP3A4 P08684 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
HSD17B2 P37059 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL30244073 1.00 NLRP3 (0.41) NLRP3CA1CA2MMP1MMP2
SCHEMBL6871649 0.86 CA2 (0.57) NLRP3CA1CA2CA12CA9
SCHEMBL29628688 0.86 CA2 (0.57) NLRP3CA1CA2CA12CA9
SCHEMBL7130700 0.82 LMNA (0.50) NLRP3CA1CA2MMP1MMP2
SCHEMBL12157465 0.80 KIF11 (0.48) NLRP3CA1CA2MMP1MMP2
SCHEMBL19943829 0.79 NLRP3 (0.43) NLRP3CA1CA2MMP1MMP2
SCHEMBL20692022 0.75 NLRP3 (0.37) NLRP3CA1CA2MMP1MMP2
SCHEMBL30162830 0.75 NLRP3 (0.37) NLRP3CA1CA2MMP1MMP2
SCHEMBL20914725 0.74 ALDH1A1 (0.49) NLRP3CA1CA2CYP2C19HSD11B1
SCHEMBL20698753 0.74 L3MBTL1 (0.38) CA1CA2HSD11B1CA9

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-2020102574-A1 THE 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 NLRP3 2/4885CA1 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.