SCHEMBL22012684

SCHEMBL22012684

CNC(=O)C1(c2ccc(S(=O)(Cl)=N[Si](C)(C)C(C)(C)C)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.33
AKR1C2 P52895 4/20 0.33
AKR1C1 Q04828 3/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
APP P05067 5/20 0.32
CYP2C19 P33261 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MLYCD O95822 1/20 0.31
HDAC1 Q13547 1/20 0.31
CFTR P13569 2/20 0.31
CYP2D6 P10635 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
SCHEMBL22012682 0.87 AKR1C3 (0.33) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL22012683 0.79 AKR1C3 (0.35) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL22012681 0.77 AKR1C3 (0.40) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL15456907 0.69
SCHEMBL25033759 0.68 AKR1C3 (0.33) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL21726315 0.66 SLC6A3 (0.56) AKR1C3AKR1C2APPCYP2C19CYP3A4
SCHEMBL22012753 0.66 NLRP3 (0.46)
SCHEMBL25460830 0.63 ELOVL1 (0.48) CYP2C19HDAC1CFTR
SCHEMBL3553242 0.62 HDAC4 (0.62) HDAC1
SCHEMBL2666199 0.62 LMNA (0.58)

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 AKR1C3 1379/4885AKR1C2 1398/4885AKR1C1 1700/4885

“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.