SCHEMBL21677211

SCHEMBL21677211

CC(=O)c1n[nH]c(=O)c2cc3sc(F)cc3n12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.34
NLRP3 Q96P20 1/20 0.33
GAA P10253 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
SCHEMBL21677275 0.78 NLRP3 (0.39) PARP10NLRP3GAA
SCHEMBL21677312 0.78 NLRP3 (0.33) PARP10NLRP3GAA
SCHEMBL21677206 0.77 NLRP3 (0.39) PARP10NLRP3GAA
SCHEMBL23881934 0.77 NLRP3 (0.42) PARP10NLRP3GAA
SCHEMBL21677272 0.74
SCHEMBL25362764 0.69 GAA (0.35) NLRP3GAA
SCHEMBL21677365 0.63 GFER (0.37) PARP10NLRP3GAA
SCHEMBL21677370 0.62 NLRP3 (0.39) NLRP3
SCHEMBL21677309 0.62 NLRP3 (0.45) PARP10NLRP3GAA
SCHEMBL21677204 0.61 NLRP3 (0.42) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168012-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-12-17 US disclosed
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 (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-12168012-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 PARP10 456/4885NLRP3 1/4885GAA 4407/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 PARP10 468/4885NLRP3 1/4885GAA 4367/4885

“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.