SCHEMBL21677360

SCHEMBL21677360

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
NLRP3 Q96P20 10/20 0.49
THRB P10828 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KCNH2 Q12809 1/20 0.48
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL21677311 0.90 NLRP3 (0.60) NLRP3KDM4EKCNH2HSD17B10
SCHEMBL21677359 0.90 NLRP3 (0.61) NLRP3KCNH2
SCHEMBL21677364 0.88 NLRP3 (0.52) TP53NLRP3THRBKCNH2
SCHEMBL21677397 0.84 HSD17B10 (0.60) TP53NLRP3THRBKDM4ETSHR
SCHEMBL25362163 0.84 KDM4E (0.45) TP53NLRP3THRBKDM4EKCNH2
SCHEMBL21677277 0.83 KDM4E (0.47) NLRP3KDM4EKCNH2HSD17B10
SCHEMBL21677399 0.82 NLRP3 (0.53) NLRP3KDM4EKCNH2
SCHEMBL21677367 0.81 NLRP3 (0.57) TP53NLRP3THRBKDM4EKCNH2
SCHEMBL21632198 0.80 NLRP3 (0.71) TP53NLRP3THRBKCNH2
SCHEMBL30455823 0.80 NLRP3 (0.55) TP53NLRP3THRBKDM4ETSHR

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 TP53 1469/4885NLRP3 1/4885THRB 1672/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 TP53 1466/4885NLRP3 1/4885THRB 1623/4885

“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.