SCHEMBL22012738

SCHEMBL22012738

CC(C)(O)c1sc(S(N)(=O)=O)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.41
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA9 Q16790 5/20 0.39
PLK1 P53350 1/20 0.38
LOXL2 Q9Y4K0 5/20 0.36
MAOA P21397 1/20 0.36
LOX P28300 1/20 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
SCHEMBL21962325 0.82 LOXL2 (0.34) CA2PTGS2PTGS1CA12CA1
SCHEMBL22012739 0.78 PLK1 (0.36) PLK1LOXL2MAOALOX
SCHEMBL22014859 0.77 CA2 (0.41) CA2PTGS2PTGS1CA12CA1
SCHEMBL22020696 0.73 PTGS2 (0.38) CA2PTGS2PTGS1CA12CA1
SCHEMBL21962672 0.71 ALDH1A1 (0.47) CA2PTGS2PTGS1CA12CA1
SCHEMBL19506011 0.68 CA2 (0.38) CA2PTGS2PTGS1
SCHEMBL4610069 0.68 STAT3 (0.41) CA2PTGS2CA12CA1CA9
SCHEMBL7144005 0.64 CA2 (0.44) CA2PTGS2PTGS1CA12CA1
SCHEMBL19475269 0.64 CA2 (0.37) CA2
SCHEMBL19474971 0.64 CA2 (0.49) CA2CA12CA1CA9LOXL2

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 CA2 1210/4885PTGS2 1219/4885PTGS1 1116/4885

“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.