SCHEMBL3270862

SCHEMBL3270862

O=C(O)COc1ccc(SCC=C(c2ccccc2)c2cccc(F)c2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.58
PKM P14618 1/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.41
PPARA Q07869 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
PTPN7 P35236 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
PTPN12 Q05209 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
TBXAS1 P24557 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PTGER2 P43116 2/20 0.36
LMNA P02545 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
SCHEMBL3270861 1.00 PPARD (0.58) PPARDPKMPTGDR2PPARAMAPT
SCHEMBL3270542 0.98 PPARD (0.57) PPARDPKMPTGDR2PPARAMAPT
SCHEMBL3270530 0.92 PPARD (0.62) PPARDPKMPTGDR2PPARAMAPT
SCHEMBL3270528 0.92 PPARD (0.62) PPARDPKMPTGDR2PPARAMAPT
SCHEMBL3270099 0.90 PPARD (0.62) PPARDPKMPTGDR2PPARAPOLB
SCHEMBL3276861 0.90 PPARD (0.62) PPARDPKMPTGDR2PPARAPOLB
SCHEMBL3269862 0.88 PPARD (0.66) PPARDPKMPTGDR2PPARAMAPT
SCHEMBL3270448 0.88 PPARD (0.63) PPARDPKMPTGDR2PPARAMAPT
SCHEMBL3269741 0.88 PPARD (0.69) PPARDPPARA
SCHEMBL3269744 0.88 PPARD (0.69) PPARDPPARA

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
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
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US 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 697/4885PTGDR2 65/4885

“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.