SCHEMBL4113937

SCHEMBL4113937

CCOC(=O)C(C)(C)Oc1ccc(OC(C)=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 14/20 0.54
▸ PPARA Q07869 3/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ PPARG P37231 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL4793276 0.89 PPARA (0.52) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5186608 0.82 FBP1 (0.52) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4102953 0.81 FBP1 (0.56) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5186652 0.81 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5186606 0.81 TDP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4614307 0.80 FBP1 (0.48) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549824 0.80 FBP1 (0.58) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5186662 0.80 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5186614 0.80 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5937515 0.80 FBP1 (0.50) FBP1PPARAABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7439259-B2 Thiazole derivatives for treating PPAR related disorders SMITHKLINE BEECHAM CORPORATION (US) 2008-10-21 — — US disclosed
US-7439259-B2 Thiazole derivatives for treating PPAR related disorders SMITHKLINE BEECHAM CORPORATION (US) 2008-10-21 — — US disclosed
EP-1937647-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II Inpharmatica Limited (GB) 2008-07-02 — — EP 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
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 — — WO disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 — — WO disclosed
US-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 — — US 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
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 — — EP 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
US-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors GLAXO GROUP LIMITED (GB) 2004-08-12 — — US disclosed
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 — — EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 — — 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 (3 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA FBP1 475/4885PPARA 3/4885ABCB11 441/4885
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD FBP1 743/4885PPARA 1/4885ABCB11 1390/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD FBP1 743/4885PPARA 1/4885ABCB11 1390/4885

“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.

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