SCHEMBL21677403

SCHEMBL21677403

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.48
KDM4E B2RXH2 1/20 0.46
SLC18A2 Q05940 1/20 0.46
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL21677267 0.88 NLRP3 (0.61) NLRP3KDM4ESLC18A2HSD17B10TP53
SCHEMBL21677274 0.87 NLRP3 (0.52) NLRP3SLC18A2TP53MAPTTHRB
SCHEMBL21677264 0.83 NLRP3 (0.61) NLRP3KDM4EHSD17B10TP53POLB
SCHEMBL21677311 0.83 NLRP3 (0.60) NLRP3KDM4EHSD17B10
SCHEMBL21677210 0.81 KDM4E (0.45) NLRP3KDM4EHSD17B10TP53POLB
SCHEMBL21677208 0.75 NLRP3 (0.67) NLRP3SLC18A2TP53MAPTTHRB
SCHEMBL21677223 0.73 NLRP3 (0.65) NLRP3KDM4ESLC18A2TP53MAPT
SCHEMBL21677360 0.72 TP53 (0.50) NLRP3KDM4EHSD17B10TP53THRB
SCHEMBL30073549 0.70 KDM4E (0.51) KDM4ETP53MEN1KMT2AGAA
SCHEMBL25633297 0.70 KDM4E (0.51) KDM4ETP53MEN1KMT2AGAA

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 6 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
CN-112424207-B NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2024-03-19 CN 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 3682/4885SLC18A2 4539/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 NLRP3 1/4885KDM4E 3704/4885SLC18A2 4515/4885

“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.