SCHEMBL3286106

SCHEMBL3286106

CCOC(=O)C(C)(C)Oc1ccc(COc2nn(C)c(=O)n(CCCC(F)(F)F)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARG P37231 10/20 0.36
PPARD Q03181 6/20 0.36
FBP1 P09467 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3286687 0.91 PPARA (0.40) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3287354 0.89 PPARA (0.40) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3284441 0.89 PPARA (0.45) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3841939 0.89 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL3842218 0.84 PPARA (0.36) PPARACYP3A4PPARGPPARDALDH1A1
SCHEMBL3287595 0.83 PPARA (0.40) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3284507 0.83 PPARA (0.50) PPARAPPARGFBP1
SCHEMBL3287476 0.83 PPARA (0.52) PPARAPPARGPPARDFBP1
SCHEMBL3287505 0.82 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3284481 0.81 PPARA (0.43) PPARAABCB11CYP1A2CYP3A4TSHR

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 10 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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP 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 3384/4885ABCB11 528/4885CYP1A2 424/4885

“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.