SCHEMBL21677210

SCHEMBL21677210

CCOC(=O)Cn1nc(C2CC2)n2c(cc3sc(F)cc32)c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
NLRP3 Q96P20 3/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 3/20 0.41
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
GAA P10253 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
SCHEMBL21677395 0.88 NLRP3 (0.48) KDM4ENLRP3MAPTTHRBTP53
SCHEMBL21677268 0.87 NLRP3 (0.46) NLRP3MAPTTHRBTP53
SCHEMBL21677205 0.83 NLRP3 (0.60) KDM4ENLRP3THRBTP53HSD17B10
SCHEMBL21677311 0.82 NLRP3 (0.60) KDM4ENLRP3HSD17B10
SCHEMBL21677403 0.81 NLRP3 (0.48) KDM4ENLRP3MAPTTHRBTP53
SCHEMBL25360311 0.78 KDM4E (0.42) KDM4ENLRP3THRBTP53HSD17B10
SCHEMBL26038093 0.77 NLRP3 (0.46) KDM4ENLRP3THRBTP53HSD17B10
SCHEMBL21632161 0.76 NLRP3 (0.64) NLRP3THRBTP53
SCHEMBL21632265 0.75 NLRP3 (0.62) NLRP3THRBTP53KMT2A
SCHEMBL23950582 0.74 KDM4E (0.41) KDM4ENLRP3HSD17B10POLBMEN1

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 KDM4E 3682/4885NLRP3 1/4885MAPT 714/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 KDM4E 3704/4885NLRP3 1/4885MAPT 652/4885

“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.