SCHEMBL24295299

SCHEMBL24295299

CC(C)(C)OC(=O)NC/C(=C\F)COc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.63
▸ CA2 P00918 9/20 0.63
▸ CA12 O43570 6/20 0.63
▸ CA9 Q16790 6/20 0.63
▸ AOC2 O75106 4/20 0.48
▸ MAOB P27338 5/20 0.48
▸ AOC3 Q16853 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL23852233 1.00 CA1 (0.63) CA1CA2CA12CA9AOC2
SCHEMBL23370042 0.87 MAOB (0.64) CA1CA2CA12CA9AOC2
SCHEMBL16767547 0.87 CA12 (0.47) CA1CA2CA12CA9AOC2
SCHEMBL16767549 0.87 CA12 (0.47) CA1CA2CA12CA9AOC2
SCHEMBL24906961 0.85 AOC2 (0.67) CA1CA2CA12CA9AOC2
SCHEMBL23329639 0.85 MAOB (0.46) CA1CA2CA12CA9AOC2
SCHEMBL21768043 0.83 AOC3 (0.50) CA1CA2CA12CA9MAOB
SCHEMBL21780054 0.83 AOC3 (0.50) CA1CA2CA12CA9MAOB
SCHEMBL21889843 0.83 MAOB (0.45) CA1CA2CA12CA9AOC2
SCHEMBL23718599 0.83 AOC3 (0.50) CA1CA2CA12CA9MAOB

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-20220106289-A1 NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-04-07 — — 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-20220106289-A1 NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 CA1 4076/4885CA2 3351/4885CA12 4743/4885

“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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