SCHEMBL13417040

SCHEMBL13417040

O=C(O)CCC(NC(=O)Oc1ccc(CCON(O)O)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 4/20 0.43
TMPRSS15 P98073 4/20 0.42
FOLH1 Q04609 10/20 0.41
SELP P16109 1/20 0.40
PRSS1 P07477 3/20 0.39
RIMKLA Q8IXN7 1/20 0.39
FFAR1 O14842 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL13417042 0.93 SELP (0.45) NAALAD2TMPRSS15FOLH1SELPPRSS1
SCHEMBL13416590 0.88 TMPRSS15 (0.41) TMPRSS15PRSS1
SCHEMBL13416587 0.87 ITGB1 (0.39) TMPRSS15PRSS1GAA
SCHEMBL13417046 0.87 NAALAD2 (0.44) NAALAD2FOLH1SELPGAA
SCHEMBL13416691 0.85 ALDH1A1 (0.46)
SCHEMBL13416909 0.85 ITGB3 (0.44) FOLH1PRSS1
SCHEMBL13416664 0.84 TGM2 (0.45) FOLH1GAA
SCHEMBL13416682 0.84 MAPT (0.44) FOLH1
SCHEMBL13396892 0.82 NAALAD2 (0.41) NAALAD2TMPRSS15FOLH1SELPPRSS1
SCHEMBL13416583 0.81 CASP1 (0.43) TMPRSS15PRSS1FFAR1

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 NAALAD2 1509/4885TMPRSS15 2014/4885FOLH1 2259/4885

“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.