SCHEMBL4114372

SCHEMBL4114372

OCc1nc(-c2ccc(C(F)(F)F)c(F)c2)ns1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.52
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
CYP11B2 P19099 9/20 0.41
CYP11B1 P15538 6/20 0.41

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
SCHEMBL4114412 0.86 PPARD (0.48) KIF11PPARDPPARAPPARGCYP11B2
SCHEMBL4109809 0.78 PPARD (0.48) KIF11PPARDPPARAPPARG
SCHEMBL27651907 0.77 KIF11 (0.49) KIF11PPARDPPARAPPARGCYP11B2
SCHEMBL25398740 0.73 KIF11 (0.54) KIF11PPARDPPARAPPARGCYP11B2
SCHEMBL31408960 0.73 KIF11 (0.54) KIF11PPARDPPARAPPARGCYP11B2
SCHEMBL4108473 0.73 PPARD (0.49) KIF11PPARDPPARAPPARGCYP11B2
SCHEMBL4119775 0.72 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4119006 0.72 ABL1 (0.49) PPARDPPARAPPARG
SCHEMBL1425695 0.71 PPARA (0.52) PPARDPPARAPPARG
SCHEMBL4107968 0.71 PPARA (0.57) 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 11 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-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
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
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
EP-1684752-B1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-05-16 EP disclosed
CN-1897939-A Phenoxyacetic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) dual agonists JANSSEN PHARMACEUTICA NV (BE) 2007-01-17 CN 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 KIF11 2694/4885PPARD 3/4885PPARA 1/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD KIF11 2694/4885PPARD 3/4885PPARA 1/4885

“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.