SCHEMBL25224207

SCHEMBL25224207

CC1COc2cc3c(c(NC(=O)O)c21)CCC3

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 16/20 0.39
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ GSTO1 P78417 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30461301 0.83 NLRP3 (0.40) NLRP3CA2GSTO1
SCHEMBL25506637 0.83 NLRP3 (0.40) NLRP3CA2GSTO1
SCHEMBL23674522 0.80 NLRP3 (0.39) NLRP3ATMSMN1; SMN2CA2ALDH1A1
SCHEMBL20681034 0.75 NLRP3 (0.41) NLRP3ATMSMN1; SMN2CA2ALDH1A1
SCHEMBL20713466 0.75 NLRP3 (0.54) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL25197678 0.74 — —
SCHEMBL25211193 0.74 BCHE (0.36) —
SCHEMBL20681634 0.72 NLRP3 (0.51) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL25210032 0.70 — —
SCHEMBL21646768 0.66 NLRP3 (0.43) NLRP3ATMSMN1; SMN2GSTO1ALDH1A1

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-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 — — 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-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS NLRP3, NLRP1, PYCARD NLRP3 1/4885ATM 1651/4885SMN1; SMN2 1849/4885

“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.

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