Sugi Predict

Sugi Predict / Compounds / SCHEMBL398591

SCHEMBL398591

SCHEMBL398591

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ LMNA P02545 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ENPEP Q07075 2/20 0.33
▸ GSTK1 Q9Y2Q3 2/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ FOLH1 Q04609 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
SCHEMBL636113 1.00 PTGS2 (0.38) PTGS2PTGS1LMNAMEN1BLM
SCHEMBL398399 1.00 PTGS2 (0.38) PTGS2PTGS1LMNAMEN1BLM
SCHEMBL13216744 0.95 PTGS1 (0.37) PTGS2PTGS1LMNAMEN1BLM
SCHEMBL13685896 0.90 PTGS2 (0.39) PTGS2PTGS1LMNAMEN1BLM
SCHEMBL23927587 0.90 PTGS2 (0.39) PTGS2PTGS1LMNAMEN1BLM
Citric Acid SCHEMBL21682507 0.88 ALDH1A1 (0.39) PTGS2PTGS1
Citric Acid SCHEMBL23924223 0.88 ALDH1A1 (0.39) PTGS2PTGS1
SCHEMBL3232094 0.88 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL3239231 0.88 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL5183160 0.83 PTGS2 (0.35) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245684-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2024-07-25 — — US disclosed
US-11980618-B2 Nitric oxide releasing phosphodiesterase type 5 inhibitor NICOX S.A. (FR) 2024-05-14 — — US disclosed
US-20210322413-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2021-10-21 — — US disclosed
EP-3833395-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR Nicox S.A. (FR) 2021-06-16 — — EP disclosed
WO-2020030489-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2020-02-13 — — WO disclosed
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 — — US disclosed
WO-2018224419-A1 NITRIC OXIDE DONATING ISOMANNIDE DERIVATIVES NICOX S.A. (FR) 2018-12-13 — — WO disclosed
US-10093696-B2 Nitric oxide donating carnosine compounds NICOX SCIENCE IRELAND (IE) 2018-10-09 — — US disclosed
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 — — US disclosed
US-20170291920-A1 NITRIC OXIDE DONATING CARNOSINE COMPOUNDS NICOX SA (FR) 2017-10-12 — — US disclosed
EP-2313417-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2011-04-27 — — EP disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 — — US disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 — — US disclosed
EP-2274279-A1 NITRIC OXIDE DONATING PROSTAMIDES Nicox S.A. (FR) 2011-01-19 — — EP disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 — — US disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 — — US disclosed
WO-2010014516-A1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK & CO., INC. (US) 2010-02-04 — — WO disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 — — US disclosed
WO-2009150007-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-12-17 — — WO disclosed
WO-2009136281-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2009-11-12 — — WO 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 (11 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-11980618-B2 Nitric oxide releasing phosphodiesterase type 5 inhibitor PDE5A, PDE3A, PDE3B PTGS2 55/4885PTGS1 42/4885LMNA 3841/4885
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT PTGS2 428/4885PTGS1 656/4885LMNA 4141/4885
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR PTGS2 9/4885PTGS1 6/4885LMNA 3760/4885
US-20170291920-A1 NITRIC OXIDE DONATING CARNOSINE COMPOUNDS NOS1, NOS2, NOS3 PTGS2 62/4885PTGS1 19/4885LMNA 2176/4885
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 PTGS2 1871/4885PTGS1 1395/4885LMNA 1975/4885
US-10093696-B2 Nitric oxide donating carnosine compounds NOS1, NOS2, NOS3 PTGS2 62/4885PTGS1 19/4885LMNA 2176/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 PTGS2 105/4885PTGS1 56/4885LMNA 2520/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR PTGS2 9/4885PTGS1 6/4885LMNA 3760/4885
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 PTGS2 6/4885PTGS1 4/4885LMNA 2573/4885
US-20210322413-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR PDE5A, PDE6A, PDE3A PTGS2 43/4885PTGS1 36/4885LMNA 3626/4885
US-20240245684-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR PDE5A, PDE3A, PDE6A PTGS2 42/4885PTGS1 35/4885LMNA 3763/4885

“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.