SCHEMBL13416271

SCHEMBL13416271

NCCCCC(N)C(=O)Oc1ccc(CCON(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.41
▸ ITGA2B P08514 3/20 0.41
▸ LTA4H P09960 1/20 0.38
▸ EPOR P19235 2/20 0.36
▸ LNPEP Q9UIQ6 4/20 0.36
▸ ERAP2 Q6P179 3/20 0.36
▸ GSR P00390 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ PRSS1 P07477 3/20 0.33
▸ PRSS2 P07478 3/20 0.33
▸ PRSS3 P35030 3/20 0.33
▸ TPSAB1 Q15661 3/20 0.33
▸ F2 P00734 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL13416276 0.94 ITGB3 (0.41) ITGB3ITGA2BLTA4HEPORLNPEP
SCHEMBL13416281 0.86 ACHE (0.44) LTA4HEPORLNPEPERAP2DPP8
SCHEMBL13417056 0.84 FFAR1 (0.41) LTA4HGSRF2PTGS2
SCHEMBL13416252 0.83 PTGS2 (0.39) ITGB3ITGA2BLTA4HPTGS2
SCHEMBL16124585 0.82 THRB (0.48) ITGB3ITGA2BLTA4HEPORLNPEP
SCHEMBL13416870 0.82 NPY4R (0.38) ITGB3ITGA2B
SCHEMBL13416420 0.81 FFAR1 (0.37) LTA4HF2PTGS2
SCHEMBL16124583 0.81 THRB (0.47) ITGB3ITGA2BLTA4HLNPEPERAP2
SCHEMBL13396440 0.81 ITGB3 (0.40) ITGB3ITGA2BLTA4HLNPEPERAP2
SCHEMBL14135115 0.81 ACHE (0.44) LTA4HEPORLNPEPDPP8DPP9

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ITGB3 211/4885ITGA2B 313/4885LTA4H 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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