SCHEMBL3269862

SCHEMBL3269862

O=C(O)COc1ccc(SCC=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.66
PKM P14618 1/20 0.59
PPARA Q07869 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
PTGDR Q13258 1/20 0.38
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL3270530 0.97 PPARD (0.62) PPARDPKMPPARAPTGDR2PTPN7
SCHEMBL3270528 0.97 PPARD (0.62) PPARDPKMPPARAPTGDR2PTPN7
SCHEMBL3269309 0.91 PPARD (0.79) PPARDPKMPPARAPTGDR2PTGDR
SCHEMBL3269455 0.89 PPARD (0.72) PPARDPKMPPARAPTGDR2POLB
SCHEMBL3271493 0.89 PPARD (0.72) PPARDPKMPPARAPTGDR2PTGDR
SCHEMBL3269960 0.89 PPARD (0.66) PPARDPKMPPARAPTGDR2POLB
SCHEMBL3270862 0.88 PPARD (0.58) PPARDPKMPPARAPTGDR2PTPN7
SCHEMBL3270861 0.88 PPARD (0.58) PPARDPKMPPARAPTGDR2PTPN7
SCHEMBL3270542 0.88 PPARD (0.57) PPARDPKMPPARAPTGDR2PTPN7
SCHEMBL3270114 0.88 PPARD (0.62) PPARDPKMPPARAPTGDR2

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.