SCHEMBL3269112

SCHEMBL3269112

O=C(O)COc1ccc(SCC=C(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.52
PKM P14618 1/20 0.42
PPARA Q07869 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
GPR139 Q6DWJ6 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
KAT6A Q92794 1/20 0.35

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
SCHEMBL3270299 0.98 PPARD (0.53) PPARDPKMPPARAPTGDR2GPR139
SCHEMBL3276165 0.98 PPARD (0.53) PPARDPKMPPARAPTGDR2GPR139
SCHEMBL3275203 0.90 PPARD (0.57) PPARDPKMPPARAPTGDR2MRGPRX4
SCHEMBL3269565 0.90 PPARD (0.57) PPARDPKMPPARAPTGDR2MRGPRX4
SCHEMBL3275564 0.89 PPARD (0.60) PPARDPKMPPARA
SCHEMBL3269950 0.89 PPARD (0.48) PPARDPPARAPTGDR2GPR139MRGPRX4
SCHEMBL3269059 0.89 PPARD (0.63) PPARDPPARAPTGDR2MRGPRX4
SCHEMBL3269288 0.89 PPARD (0.63) PPARDPPARA
SCHEMBL3270672 0.87 PPARD (0.58) PPARDPKMPPARA
SCHEMBL3280615 0.87 PPARD (0.46) PPARDGPR139MRGPRX4KAT6A

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
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP claimed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US claimed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP claimed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US claimed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO claimed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 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 (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-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PPARD 2/4885PKM 697/4885PPARA 3/4885

“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.