SCHEMBL21677206

SCHEMBL21677206

CC(=O)c1n[nH]c(=O)c2cc3sccc3n12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.39
HSD17B10 Q99714 3/20 0.38
THRB P10828 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PARP10 Q53GL7 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL25362764 0.81 GAA (0.35) NLRP3TP53GAA
SCHEMBL21677211 0.77 PARP10 (0.34) NLRP3GAAPARP10
SCHEMBL21677398 0.77 NLRP3 (0.44) NLRP3HSD17B10THRBPOLBMAPT
SCHEMBL21677361 0.77 NLRP3 (0.38) NLRP3HSD17B10THRBPOLBMAPT
SCHEMBL21677199 0.77 NLRP3 (0.41) NLRP3HSD17B10MAPTTP53RXFP1
SCHEMBL31252924 0.74 HSD17B10 (0.37) NLRP3HSD17B10MAPTTP53RXFP1
SCHEMBL21677266 0.73 NLRP3 (0.42) NLRP3HSD17B10TP53GAA
SCHEMBL31252922 0.71 HSD17B10 (0.42) NLRP3HSD17B10THRBPOLBTP53
SCHEMBL23950353 0.62 PDE4B (0.38) THRBPOLBGAA
SCHEMBL25361376 0.61 NLRP3 (0.40) NLRP3GAA

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
EP-3827008-B1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2024-07-31 EP disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
WO-2020021447-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-01-30 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-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 NLRP3 1/4885HSD17B10 2533/4885THRB 1623/4885

“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.