SCHEMBL22012084

SCHEMBL22012084

CC(C)(C)OC(=O)N1CCCC1c1ccc(S(=N)(=O)N[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
RIPK1 Q13546 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
HCRTR2 O43614 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
WNT3 P56703 2/20 0.38
SFRP1 Q8N474 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL22012470 0.95 NR1H2 (0.40) KMT2AMEN1NPC1NR1H2NR1H3
SCHEMBL25033880 0.90 KMT2A (0.46) KMT2AMEN1NPC1ALDH1A1NR1H2
SCHEMBL22012883 0.84 STS (0.43) KMT2AMEN1NR1H2NR1H3RIPK1
SCHEMBL20680936 0.82 CHRNB2 (0.43)
SCHEMBL21962692 0.79 GPR119 (0.49) KMT2AMEN1NPC1ALDH1A1NR1H2
SCHEMBL21611379 0.77 RIPK1 (0.52) KMT2AMEN1NPC1ALDH1A1RIPK1
SCHEMBL22772314 0.77 RIPK1 (0.52) KMT2AMEN1NPC1ALDH1A1RIPK1
SCHEMBL16409394 0.77 GPR119 (0.53) KMT2AMEN1NR1H2NR1H3RIPK1
SCHEMBL16409297 0.76 CA2 (0.51) KMT2AMEN1NR1H2NR1H3RIPK1
SCHEMBL18406188 0.75 NPC1 (0.63) KMT2AMEN1NPC1ALDH1A1RIPK1

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 KMT2A 4465/4885MEN1 3277/4885NPC1 73/4885

“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.