SCHEMBL21677408

SCHEMBL21677408

CC(O)c1nn(CC(=O)N[C@@H]2CCCNC2)c(=O)c2cc3sc(Cl)cc3n12

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.89
KCNH2 Q12809 1/20 0.89
SLC18A2 Q05940 1/20 0.57
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.41

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
Hydrochloric Acid SCHEMBL21632197 0.99 NLRP3 (0.88) NLRP3KCNH2SLC18A2TP53THRB
SCHEMBL21632386 0.94 NLRP3 (1.00) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632101 0.89 NLRP3 (0.91) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632342 0.89 NLRP3 (0.91) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632131 0.86 NLRP3 (0.77) NLRP3KCNH2SLC18A2TP53THRB
SCHEMBL21632445 0.86 NLRP3 (0.85) NLRP3KCNH2SLC18A2TP53THRB
SCHEMBL21677407 0.86 NLRP3 (0.77) NLRP3KCNH2SLC18A2TP53THRB
SCHEMBL21632164 0.85 NLRP3 (0.89) NLRP3KCNH2SLC18A2TP53
Hydrochloric Acid SCHEMBL21632148 0.85 NLRP3 (0.75) NLRP3KCNH2SLC18A2TP53THRB
SCHEMBL21632457 0.85 NLRP3 (0.85) NLRP3KCNH2SLC18A2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 NLRP3 1/4885KCNH2 1699/4885SLC18A2 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.