SCHEMBL25033769

SCHEMBL25033769

CC(C)(C)[Si](C)(C)NS(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.51
EDNRA P25101 1/20 0.51
PFKFB3 Q16875 7/20 0.46
MMP1 P03956 2/20 0.41
MMP13 P45452 1/20 0.41
PFKFB4 Q16877 2/20 0.41
NR3C2 P08235 1/20 0.40
ADAMTS5 Q9UNA0 4/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
GHSR Q92847 1/20 0.39
MAPT P10636 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL21124780 0.79 EDNRB (0.49) EDNRBEDNRAPFKFB3MMP1MMP13
SCHEMBL28559447 0.76 HTT (0.48) MAPT
SCHEMBL22012739 0.74 PLK1 (0.36) EDNRBEDNRAMAPT
SCHEMBL22014857 0.74 HPGD (0.33) EDNRBEDNRAMAPT
SCHEMBL22014873 0.74 L3MBTL1 (0.33) PFKFB3MAPT
SCHEMBL23569180 0.74 L3MBTL1 (0.33) MAPT
SCHEMBL10680402 0.73 KEAP1 (0.48) EDNRBEDNRAMMP1MMP13NR3C2
SCHEMBL21962564 0.72 EDNRB (0.41) EDNRBEDNRAPFKFB3MMP1MMP13
SCHEMBL25034034 0.71 ALDH1A1 (0.35) MAPT
SCHEMBL25794370 0.71 NLRP3 (0.42)

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 1 patent. 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

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 EDNRB 705/4885EDNRA 388/4885PFKFB3 3519/4885

“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.