SCHEMBL2350217

SCHEMBL2350217

CCCC(CCC)(COS(C)(=O)=O)CSc1ccc(OCC(=O)OCC)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.55
ESR1 P03372 4/20 0.50
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
PPARA Q07869 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
SCHEMBL12082992 0.85 PPARD (0.50) PPARDESR1NPSR1ALDH1A1HPGD
SCHEMBL2354034 0.81 PPARD (0.83) PPARDESR1PPARA
SCHEMBL5974797 0.74 ESR1 (0.55) PPARDESR1NPSR1GAAALDH1A1
SCHEMBL13087141 0.73 PPARD (0.82) PPARDPPARA
SCHEMBL12059023 0.73 ESR1 (0.54) PPARDESR1NPSR1GAAALDH1A1
SCHEMBL5992812 0.72 ESR1 (0.43) PPARDESR1NPSR1GAAALDH1A1
SCHEMBL5991573 0.72 ESR1 (0.43) PPARDESR1NPSR1GAAALDH1A1
SCHEMBL14527871 0.72 ESR1 (0.53) PPARDESR1NPSR1ALDH1A1KDM4E
SCHEMBL3681632 0.71 ESR1 (0.50) PPARDESR1NPSR1ALDH1A1KDM4E
SCHEMBL3583564 0.71 ESR1 (0.50) PPARDESR1NPSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243766-B1 4-((phenoxyalkyl)thio)-phenoxyacetic acids for use in treating PPAR-delta mediated conditions JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 US disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 US disclosed
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-12-20 US disclosed
US-8258177-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-04 US disclosed
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2011-12-01 US disclosed
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2011-12-01 US disclosed
US-8008513-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-30 US disclosed
US-8008513-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-30 US disclosed
US-20100004470-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2010-01-07 US disclosed
US-20100004470-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2010-01-07 US disclosed
US-7598292-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-06 US disclosed
US-7598292-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-06 US disclosed
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-05-19 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-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885ESR1 1565/4885NPSR1 2330/4885
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885ESR1 1565/4885NPSR1 2330/4885
US-20100004470-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885ESR1 1565/4885NPSR1 2330/4885
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARD 3/4885ESR1 1565/4885NPSR1 2330/4885

“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.