SCHEMBL23012433

SCHEMBL23012433

CC(C)c1cc(F)cc(-c2cc[nH]c(=O)c2)c1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ NOTUM Q6P988 1/20 0.36
▸ NLRP3 Q96P20 9/20 0.36
▸ RXRA P19793 4/20 0.35
▸ ALDH2 P05091 1/20 0.34
▸ PPARG P37231 1/20 0.33

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
SCHEMBL29691334 1.00 PTGDR2 (0.43) PTGDR2NOTUMNLRP3RXRAALDH2
SCHEMBL29691391 0.87 NLRP3 (0.38) PTGDR2NLRP3ALDH2
SCHEMBL23012269 0.87 NLRP3 (0.38) PTGDR2NLRP3ALDH2
SCHEMBL21962584 0.81 NLRP3 (0.42) PTGDR2NLRP3PPARG
SCHEMBL22802379 0.78 NLRP3 (0.53) PTGDR2NLRP3
SCHEMBL29691517 0.77 NLRP3 (0.44) PTGDR2NLRP3
SCHEMBL23012266 0.77 NLRP3 (0.44) PTGDR2NLRP3
SCHEMBL23029317 0.76 NLRP3 (0.43) PTGDR2NLRP3
SCHEMBL29691458 0.76 NLRP3 (0.43) PTGDR2NLRP3
SCHEMBL19475203 0.76 NLRP3 (0.41) NLRP3RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 — — US disclosed
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 — — US disclosed
EP-4013762-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS Inflazome Limited (IE) 2022-06-22 — — EP disclosed
CN-114555609-A Macrocyclic sulfonamide derivatives useful as NLRP3 inhibitors 英夫拉索姆有限公司 2022-05-27 — — CN disclosed
WO-2021032588-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 — — WO disclosed
WO-2021032588-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 — — 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-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, PYCARD PTGDR2 4463/4885NOTUM 2235/4885NLRP3 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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