SCHEMBL22002808

SCHEMBL22002808

CC(=O)N/[SH](=O)=N\C(=O)Nc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 16/20 0.44
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL22002748 0.82 NLRP3 (0.48) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22002684 0.80 NLRP3 (0.45) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22012490 0.77 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL6866811 0.77 NLRP3 (0.57) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL25831042 0.74 NLRP3 (0.50) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22013712 0.74 NLRP3 (0.54) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL20194506 0.73 NLRP3 (0.53) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL21646588 0.72 NLRP3 (0.49) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22266139 0.72 ALDH1A1 (0.53) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL25015053 0.72 NLRP3 (0.41) NLRP3ATMSMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-19 US 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-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NLRP3 2/4885ATM 3677/4885SMN1; SMN2 2608/4885

“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.