SCHEMBL25819173

SCHEMBL25819173

CCC[C@@H](CO)NC(=O)Cn1nc(C(C)C)n2cc(C(C)C)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.54
MAPT P10636 1/20 0.36
TP53 P04637 2/20 0.36
GPR139 Q6DWJ6 1/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL23952591 0.79 NLRP3 (0.55) NLRP3
SCHEMBL23952567 0.75 NLRP3 (0.50) NLRP3HTTALDH1A1HPGD
SCHEMBL25816710 0.74 NLRP3 (0.51) NLRP3TP53ALDH1A1HPGD
SCHEMBL23952442 0.73 NLRP3 (0.80) NLRP3MAPTHTTALDH1A1HPGD
SCHEMBL23952071 0.73 NLRP3 (0.65) NLRP3TP53
SCHEMBL23952211 0.73 NLRP3 (0.67) NLRP3TP53
SCHEMBL23952357 0.72 NLRP3 (0.47) NLRP3TP53HTT
SCHEMBL23952604 0.72 NLRP3 (0.48) NLRP3
SCHEMBL23952600 0.71 NLRP3 (0.48) NLRP3
SCHEMBL25818872 0.71 NLRP3 (0.55) NLRP3MAPTTP53HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B NLRP3 1/4885MAPT 1978/4885TP53 2459/4885

“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.