SCHEMBL3284328

SCHEMBL3284328

CCCCCCCn1c(=O)c(NCCCc2ccc(SC(C)(C)C(=O)OCC)cc2)nn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
TNF P01375 1/20 0.34
PPARD Q03181 2/20 0.34
TLR7 Q9NYK1 3/20 0.33
CNR2 P34972 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL3284733 0.96 ALDH1A1 (0.35) PPARGPPARAALDH1A1HTTTNF
SCHEMBL3291760 0.90 PPARA (0.41) PPARGPPARAALDH1A1HTTTNF
SCHEMBL3286654 0.89 MAPK14 (0.38) ALDH1A1HTTTNFTLR7L3MBTL1
SCHEMBL3288469 0.87 TLR7 (0.34) PPARGPPARAALDH1A1HTTPPARD
SCHEMBL3285113 0.86 PPARA (0.40) PPARGPPARAALDH1A1HTTTNF
SCHEMBL3844355 0.85 PPARG (0.41) PPARGPPARAALDH1A1PPARDMEN1
SCHEMBL3284220 0.83 MAPT (0.34) PPARGPPARAALDH1A1HTTPPARD
SCHEMBL3286592 0.82 PPARA (0.41) PPARGPPARAALDH1A1HTTPPARD
SCHEMBL3285481 0.81 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL3840290 0.80 PPARG (0.39) PPARGPPARAHTTPPARD

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-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 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-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 PPARG 2530/4885PPARA 3384/4885ALDH1A1 2991/4885

“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.