SCHEMBL2350595

SCHEMBL2350595

CS(=O)(=O)OCC1(COc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.45
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MAOB P27338 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ AR P10275 1/20 0.36
▸ MDH1 P40925 1/20 0.36
▸ MDH2 P40926 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
SCHEMBL12083017 0.79 PPARD (0.47) PPARDMAOBALDH1A1DRD2
SCHEMBL4212157 0.75 F2 (0.38) ALDH1A1KMT2AAR
SCHEMBL227610 0.75 CACNA1H (0.46) PPARDCA1CA2CA9MAOB
SCHEMBL15862911 0.73 SLC6A3 (0.54) PTGS2KMT2A
SCHEMBL323068 0.73 USP2 (0.42) ALDH1A1
SCHEMBL27830058 0.72 CA1 (0.40) PPARDCA1CA2CA9MAOB
SCHEMBL27905697 0.70 PPARD (0.39) PPARDMAOBALDH1A1DRD2
SCHEMBL10151717 0.69 PPARD (0.45) PPARDCA1CA2CA9MAOB
SCHEMBL3515347 0.69 CA1 (0.35) CA1CA2CA9MAOBALDH1A1
SCHEMBL6937934 0.68 CA1 (0.66) CA1CA2CA9ALDH1A1PTGS2

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 19 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
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
CN-1882524-B 4- ((phenoxyalkyl) thio) -phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA NV 2011-06-08 — — CN 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
CN-1882524-A 4- ((phenoxyalkyl) thio) -phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA NV (BE) 2006-12-20 — — CN 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 PPARD 3/4885CA1 4761/4885CA2 2857/4885
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885CA1 4761/4885CA2 2857/4885
US-20100004470-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885CA1 4761/4885CA2 2857/4885
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARD 3/4885CA1 4761/4885CA2 2857/4885

“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.

Send feedback