SCHEMBL22019981

SCHEMBL22019981

CCn1nc(S(N)(=O)=O)cc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.36
CA1 P00915 9/20 0.36
CA9 Q16790 8/20 0.36
CA5A P35218 1/20 0.36
CA12 O43570 6/20 0.35
CA14 Q9ULX7 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.34
CA4 P22748 2/20 0.33
CA7 P43166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 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
SCHEMBL22019982 0.85 GAA (0.35) CA2CA1CA9CA12ALDH1A1
SCHEMBL21963066 0.84 NPC1 (0.48) CA2CA1CA9CA12ALDH1A1
SCHEMBL19508023 0.80 ALDH1A1 (0.40) CA2CA1CA9CA5ACA12
SCHEMBL22013582 0.79 PTGS2 (0.47) CA2CA1CA9CA12ALDH1A1
SCHEMBL3817969 0.78 CA12 (0.37) CA2CA1CA9CA12ALDH1A1
SCHEMBL21962556 0.77 CA1 (0.36) CA2CA1CA9CA5ACA12
SCHEMBL23115927 0.76 AURKA (0.39) CA2CA1CA9CA12ALDH1A1
SCHEMBL5108674 0.76 KDM4E (0.38) CA2CA1CA9CA12CA14
SCHEMBL106285 0.76 MAPT (0.52) ALDH1A1SMN1; SMN2KDM4EGAANPSR1
SCHEMBL20743212 0.76 SMN1; SMN2 (0.41) CA2CA1CA9CA12ALDH1A1

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 CA2 1245/4885CA1 3665/4885CA9 3039/4885

“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.