SCHEMBL5859191

SCHEMBL5859191

COC(=O)Cn1ccc2cc(OCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.62
PPARA Q07869 11/20 0.62
PPARG P37231 5/20 0.58
FFAR1 O14842 6/20 0.57

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
SCHEMBL6494107 0.93 PPARD (0.58) PPARDPPARAPPARGFFAR1
SCHEMBL5016717 0.91 PPARD (0.74) PPARDPPARAPPARGFFAR1
SCHEMBL14134771 0.88 PPARD (0.64) PPARDPPARAPPARGFFAR1
SCHEMBL6497348 0.86 FFAR1 (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL6110414 0.86 PPARD (0.66) PPARDPPARAPPARGFFAR1
SCHEMBL5015490 0.86 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL6487103 0.85 FFAR1 (0.51) PPARDPPARAPPARGFFAR1
SCHEMBL5858840 0.85 PPARD (0.60) PPARDPPARAPPARGFFAR1
SCHEMBL5017503 0.84 PPARD (0.65) PPARDPPARAPPARGFFAR1
SCHEMBL6108890 0.84 PPARD (0.77) PPARDPPARAPPARGFFAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions KALYPSYS, INC. (US) 2005-09-15 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US 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 (4 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-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 1/4885
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARD 2/4885PPARA 1/4885PPARG 3/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARD 2/4885PPARA 1/4885PPARG 3/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARD 2/4885PPARA 1/4885PPARG 3/4885

“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.