SCHEMBL22012723

SCHEMBL22012723

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 2/20 0.33
STS P08842 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GHSR Q92847 4/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31

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
SCHEMBL21962612 0.84 MEN1 (0.35) MMP13MEN1KMT2AMMP1STS
SCHEMBL22012724 0.84 MEN1 (0.35) MMP13MEN1KMT2AMMP1STS
SCHEMBL21962226 0.84 MEN1 (0.35) MMP13MEN1KMT2AMMP1STS
SCHEMBL25034037 0.82 GHSR (0.32) MMP13MEN1KMT2AGHSRNR1H2
SCHEMBL25033953 0.82 GHSR (0.32) MMP13MEN1KMT2AGHSRNR1H2
SCHEMBL22012720 0.82 GHSR (0.32) MMP13MEN1KMT2AGHSRNR1H2
SCHEMBL21962187 0.75 ESR2 (0.44) MMP13KDM4EMAPTNR1H2
SCHEMBL21962743 0.72 HHAT (0.43)
SCHEMBL22012904 0.69 NPC1 (0.41) MMP13MEN1KMT2AMMP1L3MBTL1
SCHEMBL22012077 0.66 PRMT5 (0.34)

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 MMP13 1607/4885MEN1 3277/4885KMT2A 4465/4885

“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.