SCHEMBL30003446

SCHEMBL30003446

COC(=O)CC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
SLC1A1 P43005 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL13863668 0.91 TSHR (0.41) TSHRPTGS2PTGS1MAPTLMNA
SCHEMBL13979203 0.83 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL30053669 0.83 PTGS2 (0.38) TSHRPTGS2PTGS1MAPT
SCHEMBL13685896 0.81 PTGS2 (0.39) PTGS2PTGS1SLC1A1LMNAMEN1
SCHEMBL5154159 0.81 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL23927587 0.81 PTGS2 (0.39) PTGS2PTGS1SLC1A1LMNAMEN1
SCHEMBL5151084 0.81 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL4587231 0.80 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL4587252 0.80 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL17369721 0.79 PTGS2 (0.36) PTGS2PTGS1

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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 TSHR 1944/4885PTGS2 945/4885PTGS1 439/4885

“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.