SCHEMBL24389441

SCHEMBL24389441

CC1(C)CC[C@]2(C(=O)n3cnc(-c4cccnc4)c3)CCC3[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 7/20 0.78
▸ MBOAT4 Q96T53 4/20 0.55
▸ CCR6 P51684 1/20 0.55
▸ KEAP1 Q14145 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NFE2L2 Q16236 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ USP7 Q93009 1/20 0.45
▸ RORC P51449 4/20 0.39

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
SCHEMBL24389445 0.90 NOS2 (0.77) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL26755576 0.88 NOS2 (0.62) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL17553177 0.87 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL23897712 0.87 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337267 0.87 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL22345144 0.87 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL26755395 0.85 NOS2 (0.85) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL20257449 0.85 NOS2 (0.74) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24389446 0.85 NOS2 (0.74) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL22355745 0.84 NOS2 (0.67) NOS2MBOAT4CCR6KEAP1CYP3A4

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-20220133748-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE TRITERPENOID THERAPEUTICS, INC. 2022-05-05 — — 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-20220133748-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE NLRP3, PYCARD, LONP1 NOS2 2290/4885MBOAT4 4266/4885CCR6 1954/4885

“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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