Sugi Predict

Sugi Predict / Compounds / SCHEMBL3269465

SCHEMBL3269465

SCHEMBL3269465

CCc1cccc(C(=CCSc2ccc(OCC(=O)O)c(Br)c2)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 7/20 0.58
▸ PPARA Q07869 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL3269462 1.00 PPARD (0.58) PPARDPPARAPKMPTGDR2NPC1
SCHEMBL3275060 0.98 PPARD (0.58) PPARDPPARAPKMPTGDR2NPC1
SCHEMBL3273439 0.92 PPARD (0.63) PPARDPPARAPKMPTGDR2NPC1
SCHEMBL3273435 0.92 PPARD (0.63) PPARDPPARAPKMPTGDR2NPC1
SCHEMBL3270099 0.90 PPARD (0.62) PPARDPPARAPKMPTGDR2LMNA
SCHEMBL3276861 0.90 PPARD (0.62) PPARDPPARAPKMPTGDR2LMNA
SCHEMBL3269378 0.89 PPARD (0.68) PPARDPPARA
SCHEMBL3269382 0.89 PPARD (0.68) PPARDPPARA
SCHEMBL3275119 0.89 PPARD (0.67) PPARDPPARAPKMPTGDR2NPC1
SCHEMBL3268838 0.88 PPARD (0.67) PPARDPPARANPC1RAB9AMAPT

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 2/4885PPARA 3/4885PKM 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.