SCHEMBL16124599

SCHEMBL16124599

CCCCc1cccc(OC(=O)C(N)C(C)O)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.48
▸ PPARG P37231 4/20 0.48
▸ ACHE P22303 3/20 0.45
▸ SPHK1 Q9NYA1 4/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ PTGIR P43119 1/20 0.43

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
SCHEMBL16124574 0.92 ALOX5 (0.48) PPARAPPARGACHECYP2D6
SCHEMBL13416287 0.84 ACHE (0.43) PPARAPPARGACHECYP2D6
SCHEMBL16124592 0.84 SPHK1 (0.53) SPHK1
SCHEMBL16124582 0.83 PPARA (0.49) PPARAPPARGACHESPHK1CYP2D6
SCHEMBL13396518 0.83 ALOX5 (0.41) PPARAPPARGACHE
SCHEMBL13416274 0.81 ACHE (0.44) ACHECYP2D6
SCHEMBL13396481 0.80 ALOX5 (0.42) ACHE
SCHEMBL28364877 0.79 PPARA (0.56) PPARAPPARGACHECYP2D6
SCHEMBL16124597 0.79 ACHE (0.48) PPARAPPARGACHECYP2D6PTGIR
SCHEMBL1790266 0.78 PPARA (0.57) PPARAPPARGACHECYP2D6

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 PPARA 2870/4885PPARG 3056/4885ACHE 394/4885

“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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