SCHEMBL4607549

SCHEMBL4607549

Cc1ncc(-c2ccc(OC(F)(F)F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.51
SCN10A Q9Y5Y9 8/20 0.47
KCNH2 Q12809 4/20 0.47
SCN5A Q14524 4/20 0.47
SCN1A P35498 1/20 0.47
SCN9A Q15858 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
KIT P10721 1/20 0.40
CTSA P10619 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL14408027 0.86 KCNH2 (0.52) SCN10AKCNH2CTSA
SCHEMBL22684975 0.81 NPC1 (0.57) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL4513898 0.78 AOC3 (0.45) AOC3FEN1NPC1ALDH1A1
SCHEMBL22042175 0.77 SCN10A (0.41) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL22042127 0.77 FEN1 (0.43) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL19626493 0.77 AOC3 (0.57) AOC3NPC1ALDH1A1MAPTRAB9A
SCHEMBL2406713 0.75 AOC3 (0.48) AOC3TYK2KITNPC1ALDH1A1
SCHEMBL14435919 0.75 AOC3 (0.47) AOC3NPC1ALDH1A1MAPTRAB9A
SCHEMBL13680632 0.74 SCN10A (0.47) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL17752213 0.74 KIF11 (0.44) AOC3JAK2JAK1TYK2JAK3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
CN-101304993-A Compounds and compositions as ppar modulators IRM LLC (BM) 2008-11-12 CN disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
CN-1980906-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-13 CN disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO 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 (2 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD AOC3 4702/4885SCN10A 3266/4885KCNH2 4604/4885
US-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD AOC3 4687/4885SCN10A 3135/4885KCNH2 4662/4885

“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.