SCHEMBL22012060

SCHEMBL22012060

CN1CCc2cc(S(N)(=O)=O)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.43
PARP1 P09874 3/20 0.40
PARP2 Q9UGN5 3/20 0.40
F10 P00742 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
WDR91 A4D1P6 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ADORA1 P30542 1/20 0.36
RAD52 P43351 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 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
SCHEMBL31054271 0.98 CA2 (0.42) CA2PARP1PARP2F10MAOA
SCHEMBL30244447 0.88 PARP1 (0.38) PARP1PARP2F10MAOAMAOB
SCHEMBL31054256 0.86 CA2 (0.42) CA2PARP1PARP2F10MAOA
SCHEMBL22012059 0.84 F10 (0.41) PARP1PARP2F10MAOAMAOB
SCHEMBL10648892 0.80 NOTUM (0.44) CA2ALDH1A1KMT2A
SCHEMBL10649011 0.79 DRD2 (0.40) CA2DRD2
SCHEMBL10661686 0.78 HDAC6 (0.40) CA2
SCHEMBL22012058 0.74 DRD2 (0.36) PARP1PARP2F10WDR91DRD2
SCHEMBL29505746 0.73 CA2 (0.54) CA2ALDH1A1MAPTMEN1HPGD
SCHEMBL29401046 0.73 CA2 (0.54) CA2ALDH1A1MEN1HPGDKMT2A

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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 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 (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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA2 1210/4885PARP1 2052/4885PARP2 3257/4885

“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.