SCHEMBL2350604

SCHEMBL2350604

CS(=O)(=O)OC(COc1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SCN1A P35498 3/20 0.38
SCN5A Q14524 3/20 0.38
SCN9A Q15858 3/20 0.38
MCHR1 Q99705 2/20 0.38
MAOB P27338 1/20 0.37
LTA4H P09960 1/20 0.37
PPARD Q03181 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PPARA Q07869 1/20 0.37
MAPT P10636 1/20 0.36
KIF11 P52732 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL10151717 0.71 PPARD (0.45) CA1CA2CA9MAOBPPARD
SCHEMBL14283334 0.70 LTA4H (0.37) SCN1ASCN5ASCN9AMAOBLTA4H
SCHEMBL15862913 0.69 PTGS2 (0.38) KIF11
SCHEMBL377865 0.69 PPARD (0.39) CA1CA2CA9MAOBPPARD
SCHEMBL2608846 0.69 ALDH1A1 (0.49) MAOBPPARDALDH1A1MAPT
SCHEMBL227610 0.68 CACNA1H (0.46) CA1CA2CA9MAOBLTA4H
SCHEMBL10994700 0.68 SLC6A4 (0.40) CA1CA2CA9PPARA
SCHEMBL2349502 0.67 ALDH1A1 (0.41) ALDH1A1MMP9
SCHEMBL6937934 0.67 CA1 (0.66) CA1CA2CA9ALDH1A1KIF11
SCHEMBL5973845 0.66 APP (0.46) MAOBPPARDALDH1A1

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
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-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-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-7598292-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-06 US disclosed
EP-1670744-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACI DS AND ANALOGS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-05-19 US disclosed
WO-2005030694-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-04-07 WO 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 CA1 4761/4885CA2 2857/4885CA9 3800/4885
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CA1 4761/4885CA2 2857/4885CA9 3800/4885
US-20100004470-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CA1 4761/4885CA2 2857/4885CA9 3800/4885
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD CA1 4761/4885CA2 2857/4885CA9 3800/4885

“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.