SCHEMBL22012058

SCHEMBL22012058

CN1CCc2cc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)sc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.36
DRD3 P35462 8/20 0.36
HTR2C P28335 7/20 0.36
HTR6 P50406 7/20 0.36
HTR2A P28223 6/20 0.36
WDR91 A4D1P6 1/20 0.36
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34
F10 P00742 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL21962667 0.88 WDR91 (0.35) DRD2DRD3HTR2CHTR6HTR2A
SCHEMBL20692242 0.75 DRD2 (0.47) DRD2DRD3HTR2CHTR6HTR2A
SCHEMBL22012059 0.74 F10 (0.41) DRD2DRD3HTR2CHTR6WDR91
SCHEMBL22012060 0.74 CA2 (0.43) DRD2DRD3WDR91PARP1PARP2
SCHEMBL22012077 0.74 PRMT5 (0.34) DRD2DRD3HDAC6
SCHEMBL20692074 0.74 DRD2 (0.46) DRD2DRD3HTR2CHTR6HTR2A
SCHEMBL21962187 0.74 ESR2 (0.44) HDAC6
SCHEMBL31054271 0.73 CA2 (0.42) DRD2DRD3WDR91PARP1PARP2
SCHEMBL30244447 0.72 PARP1 (0.38) DRD2DRD3WDR91PARP1PARP2
SCHEMBL25033747 0.71 ADORA2A (0.32) DRD2DRD3HTR2CHTR6HTR2A

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 DRD2 4864/4885DRD3 4855/4885HTR2C 3684/4885

“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.