SCHEMBL22012105

SCHEMBL22012105

CC(C)(O)c1cncc(S(N)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.55
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
CA2 P00918 2/20 0.37
CYP11B2 P19099 11/20 0.36
CYP11B1 P15538 8/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
MTOR P42345 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL12458200 0.85 APLNR (0.53) APLNRCA2APEX1CYP2C19PIK3CD
SCHEMBL22021481 0.84 PIK3CA (0.46) APLNRPIK3R1PIK3CACYP11B2CYP11B1
SCHEMBL22012108 0.82 CYP11B2 (0.37) APLNRPIK3R1PIK3CACYP11B2CYP11B1
SCHEMBL22778594 0.82 APLNR (0.50) APLNRCA2PTGS2APEX1CYP2C19
SCHEMBL21963211 0.80 APLNR (0.35) APLNRPIK3R1PIK3CACYP11B2CYP11B1
SCHEMBL22752315 0.79 APLNR (0.47) APLNRCA2PTGS2APEX1CYP2C19
SCHEMBL19475024 0.79 APEX1 (0.45) CA2PTGS2PTGS1APEX1CYP2C19
SCHEMBL30313919 0.78 APLNR (0.53) APLNRCA2PTGS2PTGS1
Hydrochloric Acid SCHEMBL29969521 0.76 APLNR (0.52) APLNRCA2PTGS2PTGS1
SCHEMBL11690551 0.76 APLNR (0.71) APLNRCA2APEX1CYP2C19PIK3CD

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 3 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
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 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 (2 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 APLNR 1657/4885PIK3R1 3797/4885PIK3CA 3440/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 APLNR 1791/4885PIK3R1 3782/4885PIK3CA 3199/4885

“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.