SCHEMBL3284699

SCHEMBL3284699

CCCCCCCN(CCCCOc1cccc(SC(C)(C)C(=O)OCC)c1)c1nn(C)c(=O)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
SMPD1 P17405 3/20 0.34
CYP2D6 P10635 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CACNA1B Q00975 1/20 0.34
PLA2G4B P0C869 1/20 0.33
CYSLTR2 Q9NS75 3/20 0.33
CYSLTR1 Q9Y271 3/20 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
SCHEMBL3291240 0.98 PPARA (0.35) THRATHRBPPARAPPARGSMPD1
SCHEMBL3841106 0.92 THRA (0.38) THRATHRBSMPD1PLA2G4BCYSLTR2
SCHEMBL3841339 0.90 THRA (0.36) THRATHRBPLA2G4B
SCHEMBL3285973 0.89 MAPK14 (0.36) THRATHRB
SCHEMBL3843626 0.86 THRA (0.36) THRATHRBSMPD1PLA2G4BCYSLTR2
SCHEMBL3846160 0.85 THRA (0.35) THRATHRBSMPD1MAOAMAOB
SCHEMBL3287365 0.82 PPARA (0.36) PPARAPPARGSMPD1MAOAMAOB
SCHEMBL3286825 0.81 PPARA (0.36) PPARAPPARGSMPD1MAOAMAOB
SCHEMBL3840686 0.80 MAPK1 (0.34) PPARAPPARGSMPD1CYP2D6MAOA
SCHEMBL3840687 0.80 POLB (0.36) PPARAPPARGCYP2D6MAOAMAOB

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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP 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 THRA 905/4885THRB 474/4885PPARA 3384/4885

“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.