SCHEMBL22012187

SCHEMBL22012187

O=C(Nc1c2c(cc3c1C(=O)CC3)CCC2)OCC(Cl)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 19/20 0.49
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 2/20 0.36

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
SCHEMBL25033905 0.87 NLRP3 (0.46) NLRP3ALDH1A1
SCHEMBL30244055 0.87 NLRP3 (0.46) NLRP3ALDH1A1
SCHEMBL30244354 0.85 NLRP3 (0.47) NLRP3ALDH1A1CYP1A2
SCHEMBL25034028 0.85 NLRP3 (0.47) NLRP3ALDH1A1CYP1A2
SCHEMBL22012462 0.77 NLRP3 (0.47) NLRP3ALDH1A1CYP1A2
SCHEMBL21962723 0.77 NLRP3 (0.47) NLRP3ALDH1A1
SCHEMBL25034030 0.76 NLRP3 (0.46) NLRP3ALDH1A1CYP1A2
SCHEMBL22012974 0.76 NLRP3 (0.46) NLRP3ALDH1A1
SCHEMBL21963215 0.75 NLRP3 (0.50) NLRP3CYP1A2
SCHEMBL25034210 0.74 NLRP3 (0.53) NLRP3ALDH1A1

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-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885ALDH1A1 1999/4885CYP1A2 1765/4885

“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.