SCHEMBL3843493

SCHEMBL3843493

CCCCCCCn1c(=O)c(NCCCCc2cccc(SC(C)(CCC)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
PPARD Q03181 1/20 0.32
TP53 P04637 1/20 0.32
ADORA3 P0DMS8 3/20 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
SCHEMBL3849410 0.96 PPARG (0.40) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL3844324 0.93 PPARG (0.38) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL3841112 0.91 PPARG (0.39) PPARGPPARAPPARDTP53ADORA3
SCHEMBL3841397 0.91 PPARG (0.32) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL3842931 0.91 PPARA (0.43) PPARGPPARAPPARDTP53ADORA3
SCHEMBL3840711 0.91 MAOA (0.33) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL3840985 0.89 PPARG (0.36) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL3284391 0.88 PPARA (0.38) PPARGPPARATP53ADORA3
SCHEMBL3849869 0.87 PPARG (0.38) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL3842355 0.87 PPARG (0.41) PPARGPPARAPPARDTP53ADORA3

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
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

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 3384/4885S1PR2 728/4885

“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.