SCHEMBL4414115

SCHEMBL4414115

Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.55
PPARG P37231 4/20 0.55
PPARA Q07869 4/20 0.51
IKBKB O14920 1/20 0.46
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
PTPN1 P18031 4/20 0.42
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
UTRN P46939 1/20 0.39
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL12151275 0.86 PPARD (0.56) PPARDPPARGPPARAIKBKBLMNA
SCHEMBL4467452 0.85 PPARD (0.58) PPARDPPARGPPARAIKBKBLMNA
SCHEMBL2245562 0.85 PPARD (0.55) PPARDPPARGPPARAIKBKBLMNA
SCHEMBL6221263 0.84 PPARD (0.54) PPARDPPARGPPARAIKBKBLMNA
SCHEMBL27930364 0.82 PPARD (0.53) PPARDPPARGPPARAIKBKBLMNA
SCHEMBL820999 0.82 PPARD (0.56) PPARDPPARGPPARAIKBKBLMNA
SCHEMBL8989102 0.82 IKBKB (0.45) IKBKBLMNANOTUMKDM4ECYP1A2
SCHEMBL9830911 0.81 KDM4E (0.50) IKBKBLMNANOTUMKDM4ECYP1A2
SCHEMBL6219398 0.80 PPARD (0.54) PPARDPPARGPPARAIKBKBLMNA
SCHEMBL6224426 0.80 PPARD (0.60) PPARDPPARGPPARAIKBKBLMNA

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
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-20070254882-A1 Sulfamide Derivatives and Pharmaceutical Composition for Upregulation of Lipid Metabolism Comprising Same CRYSTAL GENOMICS, INC. (KR) 2007-11-01 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US disclosed
EP-1778654-A1 SULFAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR UPREGULATION OF LIPID METABOLISM COMPRISING SAME Crystalgenomics, Inc. (KR) 2007-05-02 EP disclosed
CN-1950365-A Indolyl derivatives as liver-X-receptor modulators HOFFMANN LA ROCHE (CH) 2007-04-18 CN disclosed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
CN-1809541-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2006-07-26 CN disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2006006832-A1 SULFAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR UPREGULATION OF LIPID METABOLISM COMPRISING SAME CRYSTALGENOMICS, INC. (KR) 2006-01-19 WO disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 US disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 US disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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 (5 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 PPARD 29/4885PPARG 30/4885PPARA 33/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 PPARD 29/4885PPARG 30/4885PPARA 33/4885
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG PPARD 2/4885PPARG 3/4885PPARA 1/4885
US-20070254882-A1 Sulfamide Derivatives and Pharmaceutical Composition for Upregulation of Lipid Metabolism Comprising Same SULT2A1, SPTLC2, SGMS2 PPARD 210/4885PPARG 399/4885PPARA 190/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885PPARG 1/4885PPARA 2/4885

“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.