SCHEMBL13416274

SCHEMBL13416274

CC(O)C(N)C(=O)Oc1cccc(CCON(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 12/20 0.44
▸ CYP2D6 P10635 1/20 0.36
▸ GPR174 Q9BXC1 2/20 0.36
▸ P2RY10 O00398 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.36
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 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
SCHEMBL13416287 0.93 ACHE (0.43) ACHECYP2D6GPR174P2RY10
SCHEMBL13416272 0.85 PTGS2 (0.40) —
SCHEMBL16124574 0.84 ALOX5 (0.48) ACHECYP2D6TAAR1
SCHEMBL13416257 0.83 ACHE (0.43) ACHE
SCHEMBL16124599 0.81 PPARA (0.48) ACHECYP2D6
SCHEMBL13396481 0.81 ALOX5 (0.42) ACHETAAR1ACACBACACA
SCHEMBL13416416 0.81 ACHE (0.41) ACHE
SCHEMBL13417055 0.79 ACHE (0.40) ACHE
SCHEMBL13416281 0.78 ACHE (0.44) ACHETAAR1
SCHEMBL13417053 0.78 SPHK1 (0.40) —

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 540/4885CYP2D6 1159/4885GPR174 1525/4885

“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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