SCHEMBL3285113

SCHEMBL3285113

CCCCCCCn1c(=O)c(NCCc2cccc(SC(C)(C)C(=O)OCC)c2)nn(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
CNR2 P34972 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
TNF P01375 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 2/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
PPP1CA P62136 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3291760 0.96 PPARA (0.41) PPARAPPARGCNR2ALDH1A1HTT
SCHEMBL3841974 0.90 PPARG (0.38) PPARAPPARGHTTKDM4EMEN1
SCHEMBL3284733 0.90 ALDH1A1 (0.35) PPARAPPARGCNR2ALDH1A1HTT
SCHEMBL3286592 0.89 PPARA (0.41) PPARAPPARGCNR2ALDH1A1HTT
SCHEMBL3285942 0.86 PPARA (0.42) PPARAPPARGALDH1A1TP53MEN1
SCHEMBL3284562 0.86 PPARA (0.34) PPARAPPARGALDH1A1CYP2D6KDM4E
SCHEMBL3284328 0.86 PPARG (0.34) PPARAPPARGCNR2ALDH1A1HTT
SCHEMBL3840290 0.86 PPARG (0.39) PPARAPPARGHTTTP53KDM4E
SCHEMBL3284391 0.85 PPARA (0.38) PPARAPPARGCNR2ALDH1A1L3MBTL1
SCHEMBL3285171 0.85 PPARA (0.60) PPARAPPARGCYP2D6

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 9 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 claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US claimed
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-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
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
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 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 PPARA 3384/4885PPARG 2530/4885CNR2 261/4885

“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.