SCHEMBL22867009

SCHEMBL22867009

C=CCc1c(C(=O)OC)cc(F)cc1-c1ccnc(OCC)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.36
▸ CYP46A1 Q9Y6A2 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ACACB O00763 3/20 0.31
▸ PLCG1 P19174 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GABRA1 P14867 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ AR P10275 1/20 0.31
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30

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
SCHEMBL22867141 0.92 NLRP3 (0.41) NLRP3CYP46A1EGLN1PLCG1
SCHEMBL22867010 0.72 ACVR2A (0.39) NLRP3PLCG1CDK5CDK5R1
SCHEMBL25281510 0.71 CNR1 (0.43) NLRP3CYP46A1EGLN1SLC6A4SLC6A3
SCHEMBL22866621 0.71 CYP46A1 (0.40) NLRP3CYP46A1EGLN1SLC6A4SLC6A3
SCHEMBL22867183 0.70 NLRP3 (0.37) NLRP3GABRA1
SCHEMBL29173821 0.65 KDM4E (0.55) ALDH1A1ACACBHTT
SCHEMBL13714155 0.65 SLC6A4 (0.41) ALDH1A1SLC6A4SLC6A3HTTAR
SCHEMBL20744375 0.64 NLRP3 (0.41) NLRP3ALDH1A1ACACB
SCHEMBL30684077 0.64 NLRP3 (0.41) NLRP3ALDH1A1ACACB
SCHEMBL17429767 0.64 EGLN1 (0.37) EGLN1ALDH1A1ACACBHTT

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-20210002274-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-01-07 — — 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-20210002274-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 NLRP3 1/4885CYP46A1 352/4885EGLN1 1031/4885

“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.

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