SCHEMBL4614901

SCHEMBL4614901

COC(=O)CCc1ccc(Oc2ccc(C(F)(F)F)c(CN)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.43
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
EPHX2 P34913 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 3/20 0.35
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL4616403 0.85 PPARG (0.41) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4614962 0.83 SCN9A (0.44) PPARDPPARGPPARASCN9A
SCHEMBL4614951 0.82 PPARD (0.49) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4615204 0.78 HTR2A (0.45) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4615129 0.78 PPARG (0.49) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4614603 0.78 PPARG (0.41) PPARDPPARGPPARAFFAR1MEN1
SCHEMBL4614607 0.77 PPARG (0.40) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4503410 0.76 PPARG (0.45) PPARDPPARGPPARAFFAR1MEN1
SCHEMBL4614273 0.76 PPARG (0.42) PPARDPPARGPPARAFFAR1MEN1
SCHEMBL5704455 0.75 PPARG (0.48) PPARDPPARGPPARAFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070082907-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.