SCHEMBL13416411

SCHEMBL13416411

NC(CC(=O)O)C(=O)Oc1cccc(CCCON(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.40
▸ PPARA Q07869 4/20 0.39
▸ PPARG P37231 3/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FDFT1 P37268 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ PTGDR Q13258 1/20 0.35

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
SCHEMBL13416416 0.93 ACHE (0.41) ACHEPPARAPPARGKMT2ASMN1; SMN2
SCHEMBL13416630 0.89 LTA4H (0.39) ACHEPPARAPPARGFDFT1PTGDR2
SCHEMBL13416241 0.88 ACHE (0.41) ACHEPPARAPPARGFDFT1LMNA
SCHEMBL13416453 0.87 ACHE (0.41) ACHEPPARAPPARGFDFT1LMNA
SCHEMBL13416414 0.86 FFAR1 (0.40) LMNA
SCHEMBL14135115 0.84 ACHE (0.44) ACHEFDFT1
SCHEMBL13416081 0.83 ACHE (0.42) ACHELMNA
SCHEMBL13396460 0.82 ALOX5 (0.39) ACHEPPARAPPARGKMT2ASMN1; SMN2
SCHEMBL13416287 0.82 ACHE (0.43) ACHEPPARAPPARGMTNR1AMTNR1B
SCHEMBL13417055 0.82 ACHE (0.40) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — US disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 — — 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 (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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ACHE 540/4885PPARA 3262/4885PPARG 3312/4885

“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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