SCHEMBL22014859

SCHEMBL22014859

CC(C)(O)c1cc(S(N)(=O)=O)sc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.41
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22012027 0.82 PTGS2 (0.35) CA2PTGS2PTGS1CA1HPGD
SCHEMBL22014857 0.78 HPGD (0.33) HPGDKDM4EMAPTHTTHSD17B10
SCHEMBL22014858 0.77 HPGD (0.30) HPGDKDM4EMAPTHTTHSD17B10
SCHEMBL22012738 0.77 CA2 (0.41) CA2PTGS2PTGS1CA12CA1
SCHEMBL19506011 0.74 CA2 (0.38) CA2PTGS2PTGS1
SCHEMBL19475269 0.73 CA2 (0.37) CA2
SCHEMBL25067129 0.72 BACE1 (0.32) CA2CA1
SCHEMBL21962408 0.71 ALDH1A1 (0.51) CA2PTGS2PTGS1L3MBTL1CA12
SCHEMBL30244039 0.69 KDM4E (0.41) HPGDKDM4EMAPTNPC1MEN1
SCHEMBL4610078 0.68 STAT3 (0.41) CA2CA12CA1CA9

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102574-A1 THE 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA2 1210/4885PTGS2 1219/4885PTGS1 1116/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA2 1522/4885PTGS2 1102/4885PTGS1 960/4885

“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.