SCHEMBL22012424

SCHEMBL22012424

CN(C)C(c1ccc(S(=O)(=O)Cl)cc1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCL2A1 Q16548 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
KDM2B Q8NHM5 2/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL22012419 0.83 ALDH1A1 (0.45) ALDH1A1TDP1
SCHEMBL23555216 0.77 FPR2 (0.41) HTR2AHTR2CALDH1A1HSD17B10TDP1
SCHEMBL22012420 0.76 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL22012421 0.74
SCHEMBL4044836 0.73 ACACB (0.38) HTR2AHTR2CBCL2A1
SCHEMBL4044130 0.73 PYCR1 (0.40) BCL2A1
SCHEMBL2356842 0.71 KMT2A (0.43) HTR2AHTR2CALDH1A1L3MBTL1PSEN1
SCHEMBL4091462 0.71 BCL2A1 (0.44) BCL2A1
SCHEMBL2306896 0.70 HTT (0.51) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1327427 0.70 BCL2A1 (0.43) BCL2A1

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 HTR2A 2711/4885HTR2C 3684/4885ALDH1A1 1999/4885

“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.