SCHEMBL4117773

SCHEMBL4117773

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.66
PPARA Q07869 17/20 0.66
PPARG P37231 5/20 0.63

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
SCHEMBL4111669 0.90 PPARA (0.77) PPARDPPARAPPARG
SCHEMBL14527736 0.88 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL4101432 0.78 PPARA (0.64) PPARDPPARAPPARG
SCHEMBL4103630 0.77 PPARA (1.00) PPARDPPARAPPARG
SCHEMBL4114726 0.74 PPARA (0.82) PPARDPPARAPPARG
SCHEMBL4108563 0.73 PPARA (1.00) PPARDPPARAPPARG
SCHEMBL4113971 0.72 PPARD (0.69) PPARDPPARAPPARG
SCHEMBL4114044 0.72 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL4119226 0.72 PPARD (0.72) PPARDPPARAPPARG
SCHEMBL4113980 0.71 PPARD (0.82) PPARDPPARAPPARG

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-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
EP-1684752-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-02 EP disclosed
US-7015329-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-21 US disclosed
WO-2005041959-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-12 WO disclosed
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-05 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 (2 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-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885

“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.