SCHEMBL22265913

SCHEMBL22265913

CN(C)S(C)(=O)=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NR1I2 O75469 1/20 0.30
▸ TSHR P16473 2/20 0.30
▸ NR3C2 P08235 2/20 0.30
▸ ATM Q13315 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
SCHEMBL22265836 0.81 ALDH1A1 (0.38) ALDH1A1NR3C2
SCHEMBL22266033 0.78 NR3C2 (0.36) HTR6NR3C2
SCHEMBL22280140 0.72 KDM4E (0.34) ALDH1A1POLBHTR6LMNAKDM4E
SCHEMBL841940 0.71 ESR1 (0.33) ALDH1A1
SCHEMBL22280042 0.70 CYP2D6 (0.32) ALDH1A1
SCHEMBL22280142 0.68 — —
SCHEMBL24162576 0.68 KCNN4 (0.35) HTT
SCHEMBL25014624 0.68 KCNN4 (0.35) HTT
SCHEMBL6957612 0.63 — —
SCHEMBL22266027 0.62 KEAP1 (0.41) ALDH1A1POLBHTR6LMNANR3C2

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 3 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

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 MCL1 4005/4885ALDH1A1 2055/4885POLB 4597/4885

“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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