SCHEMBL3270125

SCHEMBL3270125

O=C(O)COc1ccc(SC/C=C(/c2ccccc2)c2cccc(Cl)c2)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.63
PTGDR2 Q9Y5Y4 6/20 0.42
PKM P14618 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 2/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PTGDR Q13258 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
SCHEMBL3270448 1.00 PPARD (0.63) PPARDPTGDR2PKMTDP1CYP2C9
SCHEMBL3269687 0.98 PPARD (0.62) PPARDPTGDR2PKMTDP1CYP2C9
SCHEMBL3270991 0.92 PPARD (0.69) PPARDPTGDR2PKMTDP1PPARA
SCHEMBL3270987 0.92 PPARD (0.69) PPARDPTGDR2PKMTDP1PPARA
SCHEMBL3270576 0.90 PPARD (0.72) PPARDPTGDR2TDP1CYP2C9PPARA
SCHEMBL3270099 0.90 PPARD (0.62) PPARDPTGDR2PKMTDP1PPARA
SCHEMBL3276861 0.90 PPARD (0.62) PPARDPTGDR2PKMTDP1PPARA
SCHEMBL3271335 0.90 PPARD (0.72) PPARDPTGDR2TDP1CYP2C9PPARA
SCHEMBL3271493 0.88 PPARD (0.72) PPARDPTGDR2PKMTDP1PPARA
SCHEMBL3269572 0.88 PPARD (0.58) PPARDPTGDR2PKMTDP1PPARA

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 2/4885PTGDR2 65/4885PKM 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.