SCHEMBL16124658

SCHEMBL16124658

CCCCc1ccc(OC(=O)NC(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TGM2 P21980 1/20 0.46
THRB P10828 2/20 0.46
SUCNR1 Q9BXA5 1/20 0.46
FAAH O00519 1/20 0.44
S1PR2 O95136 3/20 0.44
S1PR1 P21453 3/20 0.44
THRA P10827 1/20 0.44
S1PR4 O95977 2/20 0.43
S1PR3 Q99500 2/20 0.43
GAA P10253 1/20 0.43
TMPRSS15 P98073 4/20 0.43
PRSS1 P07477 1/20 0.42

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
SCHEMBL16124678 0.86 MAPT (0.65) MAPTALDH1A1TGM2THRBFAAH
SCHEMBL16124652 0.85 PPARA (0.50) TMPRSS15
SCHEMBL16124607 0.85 ITGB1 (0.55)
SCHEMBL13416583 0.83 CASP1 (0.43) SUCNR1TMPRSS15PRSS1
SCHEMBL16124606 0.83 GAA (0.49) MAPTALDH1A1HPGDHSD17B10THRB
SCHEMBL13396772 0.81 CASP1 (0.42) SUCNR1TMPRSS15PRSS1
SCHEMBL13416590 0.80 TMPRSS15 (0.41) SUCNR1TMPRSS15PRSS1
SCHEMBL21802397 0.79 SLC1A3 (0.54) MAPTSUCNR1FAAHGAATMPRSS15
SCHEMBL21802396 0.79 SLC1A3 (0.54) MAPTSUCNR1FAAHGAATMPRSS15
SCHEMBL13396750 0.78 TMPRSS15 (0.40) SUCNR1TMPRSS15PRSS1

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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 MAPT 2611/4885ALDH1A1 360/4885HPGD 175/4885

“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.