SCHEMBL22867059

SCHEMBL22867059

Cc1cnccc1-c1cc(F)cc(C(C)C)c1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ NLRP3 Q96P20 6/20 0.40
▸ GPBAR1 Q8TDU6 4/20 0.38
▸ AGBL2 Q5U5Z8 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ RXRA P19793 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 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
SCHEMBL22867074 0.83 NLRP3 (0.39) PTGDR2NLRP3RPS6KA3
SCHEMBL22802379 0.83 NLRP3 (0.53) PTGDR2NLRP3
SCHEMBL22802359 0.82 NLRP3 (0.55) PTGDR2NLRP3RPS6KA3
SCHEMBL22867122 0.79 AGBL2 (0.45) PTGDR2NLRP3AGBL2RXRA
Trifluoroacetic Acid SCHEMBL30163220 0.78 NLRP3 (0.49) PTGDR2NLRP3
SCHEMBL19475203 0.76 NLRP3 (0.41) NLRP3AGBL2RXRA
SCHEMBL21962584 0.76 NLRP3 (0.42) PTGDR2NLRP3
SCHEMBL20744313 0.76 RPS6KA3 (0.40) GPBAR1RPS6KA3CCNCCDK8PDE2A
SCHEMBL30684117 0.76 RPS6KA3 (0.40) GPBAR1RPS6KA3CCNCCDK8PDE2A
SCHEMBL23012266 0.75 NLRP3 (0.44) PTGDR2NLRP3

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 PTGDR2 2091/4885NLRP3 1/4885GPBAR1 185/4885

“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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