SCHEMBL16124693

SCHEMBL16124693

CC(=O)C(CS)NC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
KMT2A Q03164 2/20 0.31
POLB P06746 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
SCHEMBL13396768 0.89 FNTA (0.37) PTGS2PTGS1
SCHEMBL20104860 0.80 ALDH1A1 (0.36) PTGS2PTGS1
SCHEMBL16124632 0.79 KMT2A (0.36) PTGS2KMT2A
SCHEMBL13396705 0.78 FNTA (0.44)
SCHEMBL20113580 0.77 FAAH (0.39) PTGS2PTGS1
SCHEMBL13396691 0.77 SLC6A5 (0.46)
SCHEMBL5183160 0.76 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL13396744 0.76 NOD1 (0.44)
SCHEMBL13863668 0.75 TSHR (0.41) PTGS2PTGS1
SCHEMBL20104867 0.75 HPGD (0.39) PTGS2PTGS1POLB

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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PTGS2 15/4885PTGS1 8/4885KMT2A 4323/4885

“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.