SCHEMBL21677397

SCHEMBL21677397

CCOC(=O)Cn1nc(C(C)C)n2c(cc3sccc32)c1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.60
NLRP3 Q96P20 4/20 0.60
KDM4E B2RXH2 2/20 0.52
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.50
THRB P10828 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL25363429 0.84 NLRP3 (0.61) HSD17B10NLRP3KDM4ETP53TSHR
SCHEMBL21677360 0.84 TP53 (0.50) HSD17B10NLRP3KDM4ETP53TSHR
SCHEMBL25771176 0.83 NLRP3 (0.60) HSD17B10NLRP3KDM4ETP53POLB
SCHEMBL21677359 0.82 NLRP3 (0.61) NLRP3
SCHEMBL21677311 0.82 NLRP3 (0.60) HSD17B10NLRP3KDM4E
SCHEMBL21677264 0.82 NLRP3 (0.61) HSD17B10NLRP3KDM4ETP53TSHR
SCHEMBL21677367 0.82 NLRP3 (0.57) HSD17B10NLRP3KDM4ETP53POLB
SCHEMBL21677205 0.82 NLRP3 (0.60) HSD17B10NLRP3KDM4ETP53TSHR
SCHEMBL30455823 0.81 NLRP3 (0.55) NLRP3KDM4ETP53TSHRTHRB
SCHEMBL25633290 0.81 NLRP3 (0.55) NLRP3KDM4ETP53TSHRTHRB

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

“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.