SCHEMBL22013513

SCHEMBL22013513

CN1CCc2cc(S(N)(=O)=NC(=O)Nc3c4c(cc5c3CCC5)CCC4)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.43
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
KMT2A Q03164 1/20 0.35
WDR91 A4D1P6 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL30770356 1.00 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL30243890 1.00 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL22012763 0.92 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL30244308 0.92 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL30770628 0.92 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL30243962 0.92 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL22012257 0.83 NLRP3 (0.34) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL25795439 0.81 NLRP3 (0.57) NLRP3
SCHEMBL22012628 0.80 NLRP3 (0.43) NLRP3
SCHEMBL30243936 0.80 NLRP3 (0.43) NLRP3

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
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
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 NLRP3 2/4885ATM 3588/4885SMN1; SMN2 2744/4885

“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.