SCHEMBL4679101

SCHEMBL4679101

CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc(CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.53
PPARG P37231 9/20 0.53
PPARA Q07869 8/20 0.52
CYP2C9 P11712 2/20 0.49
KCNH2 Q12809 2/20 0.49
VDR P11473 1/20 0.47
RXRA P19793 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
PTPN1 P18031 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL4677581 0.91 PPARG (0.47) PPARDPPARGPPARACYP2C9KCNH2
SCHEMBL5852561 0.88 PPARA (0.46) PPARDPPARGPPARACYP2C9KCNH2
SCHEMBL5852109 0.84 PPARG (0.51) PPARDPPARGPPARACYP2C9KCNH2
SCHEMBL4057018 0.83 PPARG (0.52) PPARDPPARGPPARACYP2C9KCNH2
SCHEMBL4674437 0.82 PPARG (0.69) PPARGPPARACYP2C9KCNH2PTPN1
SCHEMBL4675683 0.82 PPARD (0.51) PPARDPPARGPPARAPTPN1
SCHEMBL4474748 0.81 PPARD (0.62) PPARDPPARGPPARAFFAR1
SCHEMBL6614798 0.81 PPARG (0.58) PPARDPPARGPPARACYP2C9KCNH2
SCHEMBL4674764 0.81 PPARD (0.60) PPARDPPARGPPARAFFAR1
SCHEMBL4676542 0.80 PPARG (0.44) PPARDPPARGPPARACYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US claimed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US claimed
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US 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-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.