SCHEMBL21962422

SCHEMBL21962422

CC(C)(C)OC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
ESR2 Q92731 1/20 0.50
ADORA1 P30542 2/20 0.46
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPK1 P28482 1/20 0.41
NAMPT P43490 1/20 0.39
SCN9A Q15858 1/20 0.38
MKNK1 Q9BUB5 3/20 0.37
GRAMD1A Q96CP6 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
PDK4 Q16654 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
SCHEMBL22012111 0.91 ESR2 (0.51) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL4183295 0.88 ESR2 (0.50) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL21962254 0.85 ESR2 (0.47) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL22012113 0.85 NR1H2 (0.45) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL14876121 0.83 NR1H2 (0.60) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL21962187 0.82 ESR2 (0.44) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL6421569 0.81 ESR2 (0.55) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL6421478 0.81 NR1H2 (0.54) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL1017283 0.80 ESR2 (0.54) NR1H2ESR2ADORA1BRD4CREBBP
SCHEMBL22369230 0.80 ESR2 (0.54) NR1H2ESR2ADORA1BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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 334/4885ESR2 2842/4885ADORA1 510/4885

“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.