SCHEMBL22015927

SCHEMBL22015927

O=[S+]CC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.33
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1991051 0.77 NLRP3 (0.35) NLRP3MAPTL3MBTL1
Nibrozetone SCHEMBL2249018 0.77 NLRP3 (0.47) NLRP3MAPTL3MBTL1
SCHEMBL6365346 0.77 ALDH1A1 (0.52) NLRP3MAPTL3MBTL1
SCHEMBL21626535 0.73 POLB (0.41) L3MBTL1
SCHEMBL14841644 0.70 NLRP3 (0.34) NLRP3
SCHEMBL30787950 0.69 JAK2 (0.31) NLRP3
SCHEMBL1997904 0.67 ESR1 (0.33) NLRP3
SCHEMBL22015954 0.66 NOS2 (0.34)
SCHEMBL9347128 0.65 L3MBTL1 (0.39) NLRP3MAPTL3MBTL1
SCHEMBL31065659 0.65 CASP3 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine EPICENTRX, INC. (US) 2021-05-18 US disclosed
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE EPICENTRX, INC. 2020-05-21 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 (2 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-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine AS3MT, SLC10A6, SLCO1B3 NLRP3 1947/4885MAPT 1040/4885L3MBTL1 512/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 NLRP3 1947/4885MAPT 1040/4885L3MBTL1 512/4885

“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.