SCHEMBL4483699

SCHEMBL4483699

CCOC(=O)C(OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
PPARG P37231 2/20 0.45
POLB P06746 2/20 0.43
UTS2R Q9UKP6 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 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
SCHEMBL668192 0.78 CA12 (0.61) NPSR1KDRMAPTKDM4EMEN1
SCHEMBL23817394 0.76 UTS2R (0.46) EPHX2PPARGUTS2RCYP1A1CYP1B1
SCHEMBL18844819 0.76 UTS2R (0.48) EPHX2PPARGUTS2RCYP1A1CYP1B1
SCHEMBL7243421 0.75 CA12 (0.61) UTS2RCYP1A1CYP1B1MAOBMEN1
SCHEMBL2294507 0.74 MAPT (0.57) NPSR1KDRMAPTKDM4EMEN1
SCHEMBL14258776 0.73 UTS2R (0.49) EPHX2PPARGUTS2RCYP1A1CYP1B1
SCHEMBL4473356 0.72 EPHX2 (0.46) EPHX2PPARGUTS2RCYP1A1CYP1B1
SCHEMBL21656669 0.72 CA12 (0.53) POLBCYP1A1CYP1B1MAOBMAPT
Oxirane SCHEMBL958736 0.72 CA12 (0.53) NPSR1KDRMAPTKDM4EMEN1
SCHEMBL16664045 0.72 CA12 (0.53) EPHX2PPARGPOLBMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG EPHX2 2177/4885PPARG 3/4885POLB 2958/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD EPHX2 963/4885PPARG 1/4885POLB 3035/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD EPHX2 1011/4885PPARG 1/4885POLB 1759/4885

“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.