SCHEMBL16124681

SCHEMBL16124681

CC(=O)C(N)CCC(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA4 P22748 5/20 0.39
CA9 Q16790 5/20 0.39
NOD1 Q9Y239 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2C P28335 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
ESR2 Q92731 1/20 0.31
P2RY10 O00398 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
SCHEMBL3398544 0.88 CA12 (0.41) PTGS2CA12CA1CA2CA4
SCHEMBL6516893 0.88 CA12 (0.41) PTGS2CA12CA1CA2CA4
SCHEMBL16124713 0.87 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL13397111 0.87 CA12 (0.40) PTGS2CA12CA1CA2CA4
SCHEMBL13396954 0.87 NOD1 (0.43) PTGS2CA12CA1CA2CA4
SCHEMBL13396953 0.86 NOD1 (0.44) CA12CA1CA2CA4CA9
SCHEMBL13397113 0.85 CA12 (0.38) PTGS2CA12CA1CA2CA4
SCHEMBL16124676 0.85 PTGS2 (0.41) PTGS2CA12CA1CA2CA4
SCHEMBL5153828 0.84 GSR (0.41) CA12CA1CA2CA4CA9
SCHEMBL16124746 0.84 NOD1 (0.47) NOD1HTR2CPRSS1PRSS2PRSS3

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 15/4885CA12 4275/4885CA1 4365/4885

“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.