SCHEMBL22280042

SCHEMBL22280042

CC(CN(C)C)CS(N)(=O)=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL22280140 0.77 KDM4E (0.34) ALDH1A1HTR2AHRH1
SCHEMBL28628662 0.72 RAB9A (0.34) CYP2D6ALDH1A1CYP2C19HSD17B10HTR2A
SCHEMBL22280142 0.71 — —
SCHEMBL22265913 0.70 MCL1 (0.32) ALDH1A1
SCHEMBL25014624 0.70 KCNN4 (0.35) HSD17B10
SCHEMBL21962897 0.68 LMNA (0.39) ALDH1A1RAB9ATDP1
SCHEMBL22265836 0.66 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1
SCHEMBL22266033 0.64 NR3C2 (0.36) —
SCHEMBL20760555 0.62 CA1 (0.34) RAB9A
SCHEMBL22280017 0.62 — —

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
US-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-21 — — US disclosed
EP-3914583-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-12-01 — — EP disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 — — WO disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 — — 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-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP2D6 2809/4885ALDH1A1 2055/4885CYP2C19 2889/4885

“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.

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