SCHEMBL4527401

SCHEMBL4527401

CCOC(=O)CCc1ccc(Oc2cc(C)cc(Oc3ccc(C(F)(F)F)cc3-c3ccccn3)c2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.57
PPARG P37231 12/20 0.57
PPARA Q07869 12/20 0.57
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GCK P35557 1/20 0.36
SCN9A Q15858 4/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL4506310 0.91 PPARD (0.69) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4527533 0.86 PPARD (0.70) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4517133 0.86 SCN9A (0.47) PPARDPPARGPPARASCN9A
SCHEMBL4516163 0.85 PPARD (0.68) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4525737 0.85 PPARD (0.67) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4511257 0.84 PPARG (0.56) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4517797 0.82 PPARD (0.44) PPARDPPARGPPARACYP1A2CYP2C9
SCHEMBL4503058 0.79 PPARD (0.56) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4513036 0.78 PPARD (0.57) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4505767 0.77 PPARG (0.43) PPARDPPARGPPARAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 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 (1 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-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis PPARA, PPARG, PPARD PPARD 3/4885PPARG 2/4885PPARA 1/4885

“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.