SCHEMBL16124652

SCHEMBL16124652

CCCCc1cccc(OC(=O)NC(CC(=O)O)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.50
PPARG P37231 3/20 0.50
TMPRSS15 P98073 1/20 0.46
PTGIR P43119 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PTGS2 P35354 1/20 0.43

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
SCHEMBL16124615 0.88 MME (0.49) PPARAPPARG
SCHEMBL16124616 0.87 MAPT (0.54) PPARAPPARGPTGS2
SCHEMBL16124658 0.85 MAPT (0.47) TMPRSS15
SCHEMBL13417085 0.84 TMPRSS15 (0.43) TMPRSS15
SCHEMBL13396885 0.83 TMPRSS15 (0.42) TMPRSS15
SCHEMBL13416697 0.82 TMPRSS15 (0.44) TMPRSS15
SCHEMBL16124629 0.81 ACE (0.51)
SCHEMBL13396714 0.80 TMPRSS15 (0.43) TMPRSS15PTGS2
SCHEMBL16124680 0.80 FOLH1 (0.47)
SCHEMBL16124620 0.79 PPARA (0.59) PPARAPPARG

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 PPARA 2870/4885PPARG 3056/4885TMPRSS15 2310/4885

“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.