SCHEMBL22280117

SCHEMBL22280117

CN1CCC(CS(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 2/20 0.36
▸ CHRM3 P20309 2/20 0.35
▸ NMT1 P30419 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ KAT5 Q92993 1/20 0.34
▸ KAT8 Q9H7Z6 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR1B P28222 1/20 0.33

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
SCHEMBL22265958 0.88 KMT2A (0.35) KMT2AACHECHRM3NMT1CYP1A2
SCHEMBL22265876 0.80 CHRM3 (0.35) KMT2ACHRM3CYP1A2SLC6A2HTR6
SCHEMBL22265851 0.78 KMT2A (0.36) KMT2ACHRM3NMT1SLC6A2NSD2
SCHEMBL22266027 0.67 KEAP1 (0.41) KMT2AKDM1AHTR6
SCHEMBL22266023 0.67 ALDH1A1 (0.33) —
SCHEMBL28613140 0.65 PTGES2 (0.32) —
SCHEMBL21962888 0.65 GAA (0.38) KMT2A
SCHEMBL14819973 0.64 ALDH1A1 (0.68) KMT2ANSD2
SCHEMBL25014616 0.64 KCNN4 (0.37) KMT2A
SCHEMBL21962953 0.64 LMNA (0.41) KMT2A

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-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
CN-113316566-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-27 — — CN 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 KMT2A 4526/4885ACHE 4289/4885CHRM3 4010/4885

“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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