SCHEMBL21677367

SCHEMBL21677367

CCOC(=O)Cn1nc(C(C)C)n2c(cc3scnc32)c1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.57
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.43
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL21677214 0.87 NLRP3 (0.62) NLRP3KCNH2TP53POLBTHRB
SCHEMBL25241917 0.85 KDM4E (0.46) NLRP3KDM4EHSD17B10GAATP53
SCHEMBL23881933 0.85 NLRP3 (0.61) NLRP3KDM4EKCNH2TP53POLB
SCHEMBL23930389 0.84 KDM4E (0.45) NLRP3KDM4EHSD17B10GAATP53
SCHEMBL21677277 0.84 KDM4E (0.47) NLRP3KDM4EHSD17B10KCNH2GAA
SCHEMBL25771199 0.84 KDM4E (0.44) NLRP3KDM4EHSD17B10GAATP53
SCHEMBL21677397 0.82 HSD17B10 (0.60) NLRP3KDM4EHSD17B10TP53POLB
SCHEMBL25244370 0.82 KDM4E (0.43) NLRP3KDM4EHSD17B10GAATP53
SCHEMBL30194142 0.82 NLRP3 (0.49) NLRP3KDM4EHSD17B10TP53POLB
SCHEMBL21677360 0.81 TP53 (0.50) NLRP3KDM4EHSD17B10KCNH2TP53

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 NLRP3 1/4885KDM4E 3682/4885HSD17B10 2625/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 NLRP3 1/4885KDM4E 3704/4885HSD17B10 2533/4885

“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.