SCHEMBL13396468

SCHEMBL13396468

NC(CCC(=O)O)C(=O)Oc1ccc(CCO[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.39
▸ LTA4H P09960 4/20 0.38
▸ PTGS2 P35354 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ S1PR1 P21453 2/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL13396473 0.93 FFAR1 (0.42) FFAR1LTA4HPTGS2S1PR1S1PR3
SCHEMBL13396493 0.88 KCNH2 (0.36) FFAR1LTA4HPTGS2S1PR1S1PR3
SCHEMBL13396478 0.86 PTGS1 (0.40) FFAR1LTA4HPTGS2PTGS1FFAR4
SCHEMBL13396387 0.85 PTGS2 (0.37) PTGS2PTGS1KCNH2
SCHEMBL13396440 0.85 ITGB3 (0.40) LTA4H
SCHEMBL13396479 0.81 FFAR1 (0.39) FFAR1LTA4HPTGS2LMNAS1PR1
SCHEMBL13396366 0.81 SLC7A5 (0.43) PTGS2
SCHEMBL13417056 0.81 FFAR1 (0.41) FFAR1LTA4HPTGS2LMNAL3MBTL1
SCHEMBL13396500 0.80 PTGS1 (0.39) FFAR1LTA4HPTGS2PTGS1
SCHEMBL13396412 0.79 NPY4R (0.37) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 — — US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 — — US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 FFAR1 871/4885LTA4H 1170/4885PTGS2 15/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 FFAR1 1241/4885LTA4H 1146/4885PTGS2 12/4885

“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.

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