SCHEMBL22012720

SCHEMBL22012720

CC(C)(C)OC(=O)N1CCc2sc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc2C1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.32
MMP13 P45452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL25033953 1.00 GHSR (0.32) GHSRMMP13MEN1KMT2ANR1H2
SCHEMBL25034037 1.00 GHSR (0.32) GHSRMMP13MEN1KMT2ANR1H2
SCHEMBL22012724 0.86 MEN1 (0.35) GHSRMMP13MEN1KMT2ANR1H2
SCHEMBL21962612 0.86 MEN1 (0.35) GHSRMMP13MEN1KMT2ANR1H2
SCHEMBL21962226 0.86 MEN1 (0.35) GHSRMMP13MEN1KMT2ANR1H2
SCHEMBL22012122 0.84
SCHEMBL22012723 0.82 MMP13 (0.35) GHSRMMP13MEN1KMT2ANR1H2
SCHEMBL22012113 0.77 NR1H2 (0.45) NR1H2
SCHEMBL21962743 0.70 HHAT (0.43)
SCHEMBL22012905 0.70 ALDH1A1 (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GHSR 4285/4885MMP13 1607/4885MEN1 3277/4885

“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.