SCHEMBL3276035

SCHEMBL3276035

CCOc1cccc(C(=CCSc2ccc(OCC(=O)O)c(Br)c2)c2cccc(OCC)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.57
FFAR1 O14842 2/20 0.41
PKM P14618 1/20 0.41
PPARA Q07869 1/20 0.40
HPGD P15428 1/20 0.40
KLK7 P49862 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3271593 0.98 PPARD (0.57) PPARDFFAR1PKMPPARAHPGD
SCHEMBL3271596 0.98 PPARD (0.57) PPARDFFAR1PKMPPARAHPGD
SCHEMBL3270672 0.91 PPARD (0.58) PPARDFFAR1PKMPPARAHPGD
SCHEMBL3269251 0.90 PPARD (0.62) PPARDPKMPPARAMEN1MAPT
SCHEMBL3269822 0.90 PPARD (0.62) PPARDPKMPPARAMEN1MAPT
SCHEMBL3270891 0.89 PPARD (0.58) PPARDFFAR1PKMPPARAKMT2A
SCHEMBL3276569 0.89 PPARD (0.58) PPARDFFAR1PKMPPARAKMT2A
SCHEMBL3269725 0.89 PPARD (0.66) PPARDPPARA
SCHEMBL3270965 0.89 PPARD (0.66) PPARDFFAR1PKMPPARAALDH1A1
SCHEMBL3271628 0.89 PPARD (0.62) PPARDPKMPPARAL3MBTL1PTGDR2

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 2/4885FFAR1 21/4885PKM 697/4885

“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.