SCHEMBL16124646

SCHEMBL16124646

CCCOCCOC(=O)OCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.46
PPARG P37231 4/20 0.44
CTSK P43235 9/20 0.42
CTSS P25774 5/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACE P12821 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
PPARD Q03181 2/20 0.37
ITGAV P06756 1/20 0.36
ITGB6 P18564 1/20 0.36

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
SCHEMBL13416738 0.86 PPARA (0.43) PPARAPPARGCTSKCTSSCYP1A2
SCHEMBL21837471 0.85 PPARA (0.55) PPARAPPARGCTSKCTSSCYP1A2
SCHEMBL21837472 0.85 PPARA (0.55) PPARAPPARGCTSKCTSSCYP1A2
SCHEMBL24633954 0.85 PPARA (0.55) PPARAPPARGCTSKCTSSCYP1A2
SCHEMBL3308623 0.84 PPARA (0.42) PPARAPPARGCTSKCTSSCYP1A2
SCHEMBL31386820 0.81 CTSK (0.51) PPARAPPARGCTSKCTSSCYP1A2
SCHEMBL16124741 0.79 CTSK (0.35) PPARAPPARGCTSKCTSSCYP1A2
SCHEMBL16124723 0.78 PTGS1 (0.31) CTSLCTSB
SCHEMBL13416387 0.78 PPARA (0.41) PPARAPPARGCTSKCTSSCYP1A2
SCHEMBL13365298 0.77 PPARA (0.53) PPARAPPARGCTSKCTSSITGB3

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 3056/4885CTSK 4066/4885

“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.