SCHEMBL4119348

SCHEMBL4119348

FC(F)(F)c1ccc(-c2nsc(CCBr)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
PPARD Q03181 5/20 0.45
PPARA Q07869 5/20 0.45
PPARG P37231 2/20 0.45
KIF11 P52732 1/20 0.41
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 1/20 0.39
AHR P35869 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37
GFER P55789 1/20 0.36
PTPN1 P18031 1/20 0.36
GSK3B P49841 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
DPP4 P27487 1/20 0.35
CASP3 P42574 1/20 0.35
TRPV3 Q8NET8 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
SCHEMBL13334280 0.88 PPARD (0.46) SIRT2PPARDPPARAPPARGKIF11
SCHEMBL13847951 0.85 PPARD (0.47) SIRT2PPARDPPARAPPARGKIF11
SCHEMBL12151189 0.81 PPARD (0.48) SIRT2PPARDPPARAPPARGKIF11
SCHEMBL12151278 0.81 PPARD (0.46) SIRT2PPARDPPARAPPARGKIF11
SCHEMBL4109809 0.81 PPARD (0.48) SIRT2PPARDPPARAPPARGKIF11
SCHEMBL12151052 0.78 PPARD (0.51) PPARDPPARAPPARGKIF11LMNA
SCHEMBL23862105 0.74 PPARD (0.51) PPARDPPARAPPARGLMNATHRB
SCHEMBL4117675 0.73 PPARD (0.45) PPARDPPARAPPARGAHRCASP3
SCHEMBL11864915 0.72 KIF11 (0.42) SIRT2PPARDPPARAKIF11S1PR1
SCHEMBL3765784 0.72 CASP3 (0.48) SIRT2KIF11S1PR1S1PR3GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479008-B PPAR-delta agonist benzazepine-oxyacetic acid derivatives for raising HDL-C, lowering LDL-C and lowering cholesterol JANSSEN PHARMACEUTICA NV 2013-07-17 CN 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-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 SIRT2 1111/4885PPARD 3/4885PPARA 1/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD SIRT2 1111/4885PPARD 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.