SCHEMBL21962082

SCHEMBL21962082

CC(C)c1c2c(c3c(c1CC(=O)OC(C)(C)C)CCC3)COC2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 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
SCHEMBL21962244 0.81 KDM4E (0.32) KDM4E
SCHEMBL22015025 0.78 KDM4E (0.31) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL21962898 0.77 PLA2G10 (0.30) PLA2G10PLA2G5
SCHEMBL19508028 0.72 MTNR1A (0.37) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL19507087 0.72 KDM4E (0.35) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL20699038 0.69 HPGD (0.37) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL22014999 0.68
SCHEMBL19475186 0.68 NLRP3 (0.47) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL25067020 0.66 NLRP3 (0.45) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL19508130 0.65 MTNR1A (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4478/4885HPGD 1793/4885HSD17B10 1210/4885

“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.