SCHEMBL26133785

SCHEMBL26133785

COc1cc(-c2c(C)cc(C(F)(F)F)cc2O)nc([N+](=O)[O-])c1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 18/20 0.39
▸ TNF P01375 3/20 0.36
▸ NLRP3 Q96P20 2/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ERN1 O75460 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
SCHEMBL26094347 0.80 IL1B (0.42) IL1BTNFNLRP3
SCHEMBL3199415 0.72 ERN1 (0.49) MEN1MAPTKMT2AERN1
SCHEMBL31048131 0.68 IL1B (0.37) IL1BTNFNLRP3
SCHEMBL26093177 0.68 ERN1 (0.44) MEN1MAPTKMT2AERN1
SCHEMBL31166554 0.68 ERN1 (0.44) MEN1MAPTKMT2AERN1
SCHEMBL22695045 0.63 IL1B (0.61) IL1BTNFNLRP3
SCHEMBL31233716 0.62 IL1B (0.51) IL1BTNFNLRP3
SCHEMBL31404979 0.62 IL1B (0.58) IL1BTNFNLRP3
SCHEMBL8159248 0.62 ALDH1A1 (0.43) MEN1MAPTKMT2A
SCHEMBL22695042 0.60 IL1B (0.57) IL1BTNFNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 — — EP disclosed
US-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-08-22 — — US disclosed
CN-118119626-A Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-05-31 — — CN disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 — — WO 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-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 IL1B 31/4885TNF 2078/4885NLRP3 1/4885

“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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