SCHEMBL22015954

SCHEMBL22015954

N[C@@H](CS(=O)(=O)CC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.34
GCLC P48506 1/20 0.30

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
SCHEMBL22015956 0.84
SCHEMBL22016047 0.82 NOD1 (0.38)
SCHEMBL20077369 0.81
SCHEMBL22015949 0.79 KDM4E (0.34)
SCHEMBL22015953 0.77 PTGS1 (0.49)
SCHEMBL14850401 0.74 ARG1 (0.36) NOS2
SCHEMBL21955690 0.73
SCHEMBL22016036 0.73
Hydrochloric Acid SCHEMBL21955683 0.72
SCHEMBL155592 0.67 POLB (0.52) NOS2GCLC

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 NOS2 2640/4885GCLC 697/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 NOS2 2640/4885GCLC 697/4885

“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.