Sugi Predict

Sugi Predict / Compounds / SCHEMBL3275643

SCHEMBL3275643

SCHEMBL3275643

CCc1ccc(C(=CCSc2ccc(OCC(=O)O)c(I)c2)c2ccc(CC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 11/20 0.61
▸ PPARA Q07869 2/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LTB4R Q15722 2/20 0.37
▸ LTB4R2 Q9NPC1 2/20 0.37
▸ FFAR1 O14842 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL3270701 0.97 PPARD (0.58) PPARDPPARAPTGDR2MEN1KMT2A
SCHEMBL3274214 0.97 PPARD (0.58) PPARDPPARAPTGDR2MEN1KMT2A
SCHEMBL3271025 0.89 PPARD (0.66) PPARDPPARAPTGDR2MEN1KMT2A
SCHEMBL3269576 0.89 PPARD (0.53) PPARDPPARAPTGDR2LTB4RLTB4R2
SCHEMBL3269963 0.89 PPARD (0.53) PPARDPPARAPTGDR2LTB4RLTB4R2
SCHEMBL3270188 0.89 PPARD (0.62) PPARDPPARAPTGDR2MEN1KMT2A
SCHEMBL3274185 0.89 PPARD (0.53) PPARDPPARAPTGDR2MEN1KMT2A
SCHEMBL3269463 0.88 PPARD (0.60) PPARDPPARAFFAR1ALDH1A1
SCHEMBL3269407 0.88 PPARD (0.78) PPARDPPARA
SCHEMBL3275119 0.87 PPARD (0.67) PPARDPPARAPTGDR2MEN1KMT2A

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 3/4885PTGDR2 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.