SCHEMBL22020696

SCHEMBL22020696

CC(C)(O)c1sc(S(N)(=O)=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
CA2 P00918 18/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 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
SCHEMBL21963152 0.79 APLNR (0.32) PTGS2PTGS1
SCHEMBL22020697 0.74
SCHEMBL22012738 0.73 CA2 (0.41) PTGS2PTGS1CA2CA12CA1
SCHEMBL23568777 0.71 CA2 (0.42) CA2CA12CA1CA7CA13
SCHEMBL19506011 0.70 CA2 (0.38) PTGS2PTGS1CA2
SCHEMBL20698783 0.70 PTGS2 (0.48) PTGS2PTGS1CA2CA12CA1
SCHEMBL19475269 0.69 CA2 (0.37) CA2
SCHEMBL21963088 0.67 IKBKB (0.41) PTGS2PTGS1CA2CA12CA1
SCHEMBL19475212 0.67 CA2 (0.36) PTGS2PTGS1CA2CA12CA1
SCHEMBL7144005 0.66 CA2 (0.44) PTGS2PTGS1CA2CA12CA1

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
WO-2020102096-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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 PTGS2 1131/4885PTGS1 1045/4885CA2 1245/4885

“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.