SCHEMBL4114499

SCHEMBL4114499

FC(F)(F)Oc1ccc(-c2nsc(CBr)n2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.55
PPARD Q03181 10/20 0.55
KMO O15229 2/20 0.42
PPARG P37231 2/20 0.42
SLC1A5 Q15758 2/20 0.39
GRIN2B Q13224 3/20 0.38
PGK1 P00558 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
SCHEMBL4107968 0.88 PPARA (0.57) PPARAPPARDKMOPPARGSLC1A5
SCHEMBL4108840 0.80 ABL1 (0.46) PPARAPPARDPPARG
SCHEMBL1425651 0.79 PPARA (0.49) PPARAPPARD
SCHEMBL27672049 0.77 KMO (0.55) PPARAPPARDKMOPPARGSLC1A5
SCHEMBL4122537 0.76 PPARD (0.48) PPARAPPARDKMOPPARG
SCHEMBL4114492 0.74 PPARA (0.54) PPARAPPARDKMOPPARGGRIN2B
SCHEMBL4113925 0.73 PPARD (0.75) PPARAPPARDPPARG
SCHEMBL4117775 0.72 PPARD (1.00) PPARAPPARDPPARG
SCHEMBL1425924 0.72 NPC1 (0.46) PPARAPPARD
SCHEMBL4114412 0.71 PPARD (0.48) PPARAPPARDPPARG

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 9 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-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 PPARA 1/4885PPARD 3/4885KMO 2429/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARA 1/4885PPARD 3/4885KMO 2429/4885

“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.