SCHEMBL13417055

SCHEMBL13417055

NC(CCC(=O)O)C(=O)Oc1cccc(CCON(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.40
▸ FFAR1 O14842 5/20 0.39
▸ LTA4H P09960 4/20 0.39
▸ FFAR4 Q5NUL3 3/20 0.36
▸ MC4R P32245 1/20 0.36
▸ MC5R P33032 1/20 0.36
▸ MC1R Q01726 1/20 0.36

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
SCHEMBL13416630 0.93 LTA4H (0.39) ACHEFFAR1LTA4HMC4RMC5R
SCHEMBL13416416 0.88 ACHE (0.41) ACHEFFAR1LTA4H
SCHEMBL13416257 0.86 ACHE (0.43) ACHE
SCHEMBL13417056 0.86 FFAR1 (0.41) FFAR1LTA4HFFAR4
SCHEMBL13416281 0.85 ACHE (0.44) ACHELTA4H
SCHEMBL13396478 0.82 PTGS1 (0.40) ACHEFFAR1LTA4HFFAR4
SCHEMBL13416411 0.82 ACHE (0.40) ACHE
SCHEMBL13416874 0.80 MTNR1A (0.37) ACHE
SCHEMBL14135115 0.80 ACHE (0.44) ACHELTA4H
SCHEMBL13417046 0.79 NAALAD2 (0.44) 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 540/4885FFAR1 1241/4885LTA4H 1146/4885

“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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