SCHEMBL22012909

SCHEMBL22012909

CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(S(N)(=O)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
UCHL1 P09936 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 3/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
HCRTR2 O43614 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SCN4A P35499 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
SCHEMBL21962786 1.00 MEN1 (0.41) MEN1KMT2ANPC1UCHL1ALDH1A1
SCHEMBL22012903 1.00 MEN1 (0.41) MEN1KMT2ANPC1UCHL1ALDH1A1
SCHEMBL22012905 0.85 ALDH1A1 (0.39) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL22013637 0.85 ALDH1A1 (0.39) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL21962750 0.83 CA2 (0.40) NPC1ALDH1A1L3MBTL1TSHRMMP13
SCHEMBL21962206 0.83 CA2 (0.40) NPC1ALDH1A1L3MBTL1TSHRMMP13
SCHEMBL21962204 0.83 CA2 (0.40) NPC1ALDH1A1L3MBTL1TSHRMMP13
SCHEMBL22012904 0.82 NPC1 (0.41) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL15240571 0.81 UCHL1 (0.46) MEN1KMT2ANPC1UCHL1ALDH1A1
SCHEMBL657227 0.80 NPC1 (0.43) MEN1KMT2ANPC1UCHL1ALDH1A1

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 4 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
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 MEN1 3277/4885KMT2A 4465/4885NPC1 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.