SCHEMBL2854224

SCHEMBL2854224

CCCCCCCCCCCCCC=C[C@H](O)C(CON=O)[N+](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ S1PR4 O95977 2/20 0.46
▸ S1PR3 Q99500 2/20 0.46
▸ S1PR5 Q9H228 2/20 0.46
▸ S1PR2 O95136 1/20 0.46
▸ TSPO P30536 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ SGPL1 O95470 4/20 0.45
▸ SPHK2 Q9NRA0 6/20 0.44
▸ SPHK1 Q9NYA1 6/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ CETP P11597 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ GMNN O75496 2/20 0.44
▸ LMNA P02545 2/20 0.44

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
SCHEMBL28591577 0.83 S1PR1 (0.65) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL3777505 0.80 S1PR1 (0.68) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL15235841 0.78 SPHK2 (0.61) ALDH1A1SPHK2SPHK1MEN1KMT2A
SCHEMBL22986833 0.78 SPHK2 (0.61) ALDH1A1SPHK2SPHK1MEN1KMT2A
SCHEMBL1512942 0.78 SPHK2 (0.61) ALDH1A1SPHK2SPHK1MEN1KMT2A
SCHEMBL19005913 0.78 S1PR1 (0.52) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL3772519 0.77 LPAR3 (0.51) S1PR1ALDH1A1S1PR4S1PR3S1PR5
Iodide SCHEMBL5689882 0.77 SPHK2 (0.59) ALDH1A1SPHK2SPHK1MEN1KMT2A
Phosphoric Acid SCHEMBL6665386 0.75 MAPT (0.54) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL13161631 0.68 SPHK1 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696247-B2 Lipid-based nitric oxide donors BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-04-13 — — US disclosed
US-20100062055-A1 LIPID-BASED NITRIC OXIDE DONORS BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-03-11 — — US disclosed
EP-1343485-B1 Drug delivery system comprising a lipid-based nitric oxide donor BOSTON SCIENT LTD (BB) 2010-01-27 — — EP disclosed
US-20040259840-A1 Lipid-based nitric oxide donors HERRMANN ROBERT A (US) 2004-12-23 — — US disclosed
US-6780849-B2 Lipid-based nitric oxide donors SCIMED LIFE SYSTEMS, INC. 2004-08-24 — — US disclosed
EP-1343485-A2 LIPID-BASED NITRIC OXIDE DONORS Boston Scientific Limited (BB) 2003-09-17 — — EP disclosed
WO-2002056874-A2 LIPID-BASED NITRIC OXIDE DONORS SCIMED LIFE SYSTEMS, INC. (US) 2002-07-25 — — WO disclosed
US-20020082221-A1 Lipid-based nitric oxide donors SCIMED LIFE SYSTEMS, INC. 2002-06-27 — — 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 (3 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-20020082221-A1 Lipid-based nitric oxide donors NOS1, NOS3, NOS2 S1PR1 40/4885ALDH1A1 1080/4885S1PR4 93/4885
US-20100062055-A1 LIPID-BASED NITRIC OXIDE DONORS NOS1, NOS2, MGLL S1PR1 27/4885ALDH1A1 1014/4885S1PR4 64/4885
US-20040259840-A1 Lipid-based nitric oxide donors NOS1, NOS2, NOS3 S1PR1 26/4885ALDH1A1 913/4885S1PR4 61/4885

“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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