SCHEMBL3284180

SCHEMBL3284180

CCCCCCCn1nc(NCCc2ccc(SC(C)(C)C(=O)O)cc2)c(=O)n(CCCC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
PPARD Q03181 4/20 0.40
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
TBXAS1 P24557 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNOT7 Q9UIV1 4/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
USP1 O94782 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3284376 0.94 PPARG (0.38) PPARGPPARAPPARDAGTR1AGTR2
SCHEMBL3844355 0.92 PPARG (0.41) PPARGPPARAPPARDTBXAS1MEN1
SCHEMBL3285318 0.91 PPARG (0.41) PPARGPPARAPPARDTBXAS1S1PR2
SCHEMBL3844823 0.87 PPARG (0.42) PPARGPPARAPPARDTBXAS1S1PR2
SCHEMBL3842355 0.84 PPARG (0.41) PPARGPPARAPPARDCNOT7TP53
SCHEMBL3841175 0.83 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL3845660 0.82 S1PR1 (0.36) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL3841974 0.82 PPARG (0.38) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL3851231 0.82 S1PR1 (0.35) PPARGPPARAPPARDAGTR1AGTR2
SCHEMBL3284733 0.82 ALDH1A1 (0.35) PPARGPPARAPPARDCNOT7CNR2

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 8 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
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

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 3384/4885PPARD 2811/4885

“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.