SCHEMBL22015598

SCHEMBL22015598

Cc1cc(CN(C)C)ccc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
PDIA6 Q15084 1/20 0.49
LMNA P02545 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
HTR7 P34969 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA4 P22748 1/20 0.36
MAOB P27338 1/20 0.36
CA5A P35218 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
SCHEMBL22015600 0.87 CA2 (0.48) CA2PDIA6LMNASLC6A4SLC6A2
SCHEMBL20680948 0.81 CA2 (0.49) CA2SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL8405351 0.80 PDIA6 (0.53) CA2PDIA6LMNAL3MBTL1ALDH1A1
SCHEMBL22015596 0.80 PDIA6 (0.53) CA2PDIA6LMNAL3MBTL1ALDH1A1
SCHEMBL1807162 0.80 PDIA6 (0.53) CA2PDIA6LMNAL3MBTL1ALDH1A1
SCHEMBL30567326 0.79 HTR7 (0.48) CA2LMNAHTR7CA12CA1
SCHEMBL20680931 0.79 HTR7 (0.48) CA2LMNAHTR7CA12CA1
SCHEMBL1807165 0.79 PDIA6 (0.51) CA2PDIA6L3MBTL1ALDH1A1KDM4E
SCHEMBL21962242 0.77 CA2 (0.38) CA2PDIA6LMNASLC6A4SLC6A2
SCHEMBL1805243 0.77 PDIA6 (0.50) CA2PDIA6LMNAL3MBTL1ALDH1A1

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 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 (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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA2 1522/4885PDIA6 2087/4885LMNA 1952/4885

“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.