SCHEMBL25848429

SCHEMBL25848429

O=[SH]NC(=O)Nc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 17/20 0.54
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30852987 0.85 NLRP3 (0.63) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL20760949 0.79 NLRP3 (0.56) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL19272199 0.79 NLRP3 (0.60) NLRP3ALDH1A1
SCHEMBL20634490 0.79 NLRP3 (0.56) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL21646639 0.76 NLRP3 (0.54) NLRP3ALDH1A1
SCHEMBL19272297 0.76 NLRP3 (0.54) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL20713466 0.76 NLRP3 (0.54) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL19801726 0.75 NLRP3 (0.56) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL18029669 0.74 NLRP3 (0.53) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL6866811 0.74 NLRP3 (0.57) NLRP3ALDH1A1ATMSMN1; SMN2

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-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 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-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 NLRP3 8/4885ALDH1A1 649/4885ATM 3433/4885

“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.