SCHEMBL22010260

SCHEMBL22010260

N=S1(=O)NC(=O)c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 0.47
CA12 O43570 8/20 0.47
CA2 P00918 7/20 0.47
CA7 P43166 6/20 0.47
CA1 P00915 6/20 0.47
CA4 P22748 3/20 0.47
S100A4 P26447 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
KMT2A Q03164 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GLO1 Q04760 1/20 0.38
TDP2 O95551 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38

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
SCHEMBL1476316 0.81 CA12 (0.62) CA9CA12CA2CA7CA1
SCHEMBL30834838 0.81 CA12 (0.62) CA9CA12CA2CA7CA1
SCHEMBL25014902 0.79 CHEK1 (0.59) CA9CA12CA2CA7CA1
SCHEMBL22011237 0.79 CA12 (0.47) CA9CA12CA2CA7CA1
SCHEMBL22010623 0.75 MAOA (0.44) CA9CA12CA2CA7CA1
SCHEMBL25014722 0.75 NPC1 (0.41) CA9CA12CA2CA7CA1
SCHEMBL22010627 0.73 CA9 (0.64) CA9CA12CA2CA7CA1
SCHEMBL22011242 0.72 NLRP3 (0.41) CA9CA12CA2CA7CA1
SCHEMBL22010391 0.72 ALDH1A1 (0.40) CA9CA12CA2CA7CA1
SCHEMBL22011243 0.72 KMT2A (0.47) CA9CA12CA2CA7CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 WO disclosed
WO-2020102100-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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA9 3205/4885CA12 2983/4885CA2 1348/4885

“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.