SCHEMBL941652

SCHEMBL941652

CCOC(=O)C(C)(C)Oc1ccc(S(=O)(=O)Cl)cc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.56
PPARA Q07869 2/20 0.48
TSHR P16473 2/20 0.48
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2901062 0.86 FBP1 (0.41) FBP1TSHRPTGDR2ALDH1A1LMNA
SCHEMBL14527760 0.85 FBP1 (0.54) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL7984260 0.81 TSHR (0.64) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4811489 0.81 PPARA (0.68) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL1549824 0.79 FBP1 (0.58) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL941712 0.78 FBP1 (0.57) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL9701146 0.78 FBP1 (0.57) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL22005942 0.78 FBP1 (0.57) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL2431952 0.78 FBP1 (0.62) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4882540 0.77 FBP1 (0.52) FBP1PPARATSHRABCB11CYP1A2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791812-B1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA NV (BE) 2015-11-04 EP disclosed
EP-1794116-B1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA NV (BE) 2015-06-03 EP disclosed
US-8242173-B2 modulators of peroxisome proliferator activated receptors; treating diabetes, polycystic ovary syndrome, hypertension, ischemia, stroke, irritable bowel disorder, inflammation, cardiovascular diseases; dyslipidema; [4-[[2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]thio]-2-methylphenoxy]-acetic acid JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-14 US disclosed
US-7875744-B2 modulators of peroxisome proliferator activated receptors; treating diabetes, polycystic ovary syndrome, hypertension, ischemia, stroke, irritable bowel disorder, inflammation, cardiovascular diseases; dyslipidema; [4-[[2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]thio]-2-methylphenoxy]-acetic acid JANSSEN PHARMACEUTICA NV (BE) 2011-01-25 US disclosed
US-7875744-B2 modulators of peroxisome proliferator activated receptors; treating diabetes, polycystic ovary syndrome, hypertension, ischemia, stroke, irritable bowel disorder, inflammation, cardiovascular diseases; dyslipidema; [4-[[2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]thio]-2-methylphenoxy]-acetic acid JANSSEN PHARMACEUTICA NV (BE) 2011-01-25 US disclosed
US-20100331406-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS TUFTS COLLEGE 2010-12-30 US disclosed
US-7812053-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICALS NV (BE) 2010-10-12 US disclosed
US-7812053-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICALS NV (BE) 2010-10-12 US disclosed
US-20090318332-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-12-24 US disclosed
US-20090318332-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-12-24 US disclosed
WO-2006031969-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 WO disclosed
US-7015329-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-21 US disclosed
US-20060058382-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-16 US disclosed
US-20060058393-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-16 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
WO-2004092117-A1 PARA-SULFONYL SUBSTITUTED PHENYL COMPOUNDS AS MODULATORS OF PPARS KALYPSYS, INC. (US) 2004-10-28 WO disclosed
US-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1368011-A1 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES SmithKline Beecham Corporation (US) 2003-12-10 EP disclosed
WO-2002067912-A2 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES OR CONDITIONS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 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 (6 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-20060058382-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD FBP1 743/4885PPARA 1/4885TSHR 338/4885
US-20060058393-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD FBP1 743/4885PPARA 1/4885TSHR 338/4885
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD FBP1 743/4885PPARA 1/4885TSHR 338/4885
US-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions PPARG, PPARA, PPARD FBP1 1472/4885PPARA 2/4885TSHR 313/4885
US-20090318332-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD FBP1 743/4885PPARA 1/4885TSHR 338/4885
US-20100331406-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD FBP1 743/4885PPARA 1/4885TSHR 338/4885

“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.