SCHEMBL13416281

SCHEMBL13416281

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.44
▸ EPOR P19235 2/20 0.41
▸ LTA4H P09960 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LNPEP Q9UIQ6 3/20 0.36
▸ ERAP2 Q6P179 2/20 0.36
▸ ERAP1 Q9NZ08 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ TPSAB1 Q15661 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL14135115 0.94 ACHE (0.44) ACHEEPORLTA4HMMP2MAPK1
SCHEMBL13416271 0.86 ITGB3 (0.41) EPORLTA4HMMP2LNPEPERAP2
SCHEMBL13417055 0.85 ACHE (0.40) ACHELTA4H
SCHEMBL13416257 0.85 ACHE (0.43) ACHE
SCHEMBL16124584 0.84 ACHE (0.49) ACHEEPORLTA4HMAPK1L3MBTL1
SCHEMBL13416874 0.83 MTNR1A (0.37) ACHE
SCHEMBL13416416 0.83 ACHE (0.41) ACHELTA4H
SCHEMBL16124597 0.83 ACHE (0.48) ACHEEPORLTA4HMAPK1L3MBTL1
SCHEMBL13396417 0.83 ACHE (0.40) ACHEEPORLTA4HMMP2MAPK1
SCHEMBL13416630 0.81 LTA4H (0.39) ACHELTA4H

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 540/4885EPOR 669/4885LTA4H 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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