SCHEMBL22012113

SCHEMBL22012113

CC(C)(C)OC(=O)N1CCc2sc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
ESR2 Q92731 1/20 0.43
ADORA1 P30542 2/20 0.43
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
SCN9A Q15858 1/20 0.36
MAPK1 P28482 1/20 0.36
MKNK1 Q9BUB5 3/20 0.35
P2RX3 P56373 1/20 0.35
GRAMD1A Q96CP6 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL21962422 0.85 NR1H2 (0.52) NR1H2BRD4CREBBPESR2ADORA1
SCHEMBL22012111 0.83 ESR2 (0.51) NR1H2BRD4CREBBPESR2ADORA1
SCHEMBL21962187 0.81 ESR2 (0.44) NR1H2BRD4CREBBPESR2ADORA1
SCHEMBL4183295 0.81 ESR2 (0.50) NR1H2BRD4CREBBPESR2ADORA1
SCHEMBL22012118 0.81 PARP1 (0.36) MAPTKDM4EHDAC6
SCHEMBL22012433 0.79 ADORA1 (0.44) NR1H2BRD4CREBBPESR2ADORA1
SCHEMBL21962254 0.78 ESR2 (0.47) NR1H2BRD4CREBBPESR2ADORA1
SCHEMBL22012720 0.77 GHSR (0.32) NR1H2
SCHEMBL21962438 0.77 PRMT5 (0.32)
SCHEMBL14876121 0.76 NR1H2 (0.60) NR1H2BRD4CREBBPESR2ADORA1

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 NR1H2 334/4885BRD4 1078/4885CREBBP 211/4885

“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.