SCHEMBL29660985

SCHEMBL29660985

CC(C)c1nn(CC(=O)Nc2ccc3nnc(C(F)(F)F)n3n2)c(=O)c2sc(C3CC3)nc12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.62
P2RX3 P56373 2/20 0.37
MALT1 Q9UDY8 1/20 0.35
BRD4 O60885 3/20 0.33
AR P10275 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32
AADAT Q8N5Z0 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
SCHEMBL29660812 0.78 NLRP3 (0.63) NLRP3P2RX3
SCHEMBL23950215 0.76 NLRP3 (0.50) NLRP3MALT1KCNH2ALDH1A1RAB9A
SCHEMBL24076386 0.75 NLRP3 (0.60) NLRP3GPR139
SCHEMBL29030778 0.74 NLRP3 (0.60) NLRP3AADAT
SCHEMBL29660806 0.73 NLRP3 (0.59) NLRP3RAB9AAADAT
SCHEMBL29660868 0.72 NLRP3 (0.57) NLRP3
SCHEMBL29660890 0.71 NLRP3 (0.75) NLRP3P2RX3
SCHEMBL29660802 0.70 NLRP3 (0.72) NLRP3P2RX3
SCHEMBL24077196 0.68 NLRP3 (0.59) NLRP3MALT1GPR139
SCHEMBL23950217 0.65 NLRP3 (0.52) NLRP3MALT1KCNH2GPR139

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-20240043450-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2024-02-08 US disclosed
EP-4217347-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
CN-116194445-A New compounds 詹森药业有限公司 2023-05-30 CN disclosed
WO-2022063896-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 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-20240043450-A1 NEW COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885P2RX3 42/4885MALT1 2235/4885

“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.