SCHEMBL19508012

SCHEMBL19508012

CC(C)c1cc(C#N)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(C(C)(C)O)nc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.45
SOAT2 O75908 1/20 0.38
MYC P01106 1/20 0.38
SOAT1 P35610 1/20 0.38
MAP2K3 P46734 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL19508018 0.87 NLRP3 (0.44) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19508014 0.87 NLRP3 (0.56) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL20932975 0.83 NLRP3 (0.45) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507374 0.82 NLRP3 (0.52) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507064 0.82 NLRP3 (0.41) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507054 0.80 NLRP3 (0.46) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507113 0.80 NLRP3 (0.46) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL20932979 0.79 NLRP3 (0.45) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19508015 0.78 NLRP3 (0.41) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507115 0.77 NLRP3 (0.44) NLRP3SOAT2MYCSOAT1MAP2K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445749-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-12-21 EP disclosed
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 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-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885SOAT2 2587/4885MYC 4562/4885

“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.