SCHEMBL4616403

SCHEMBL4616403

COC(=O)CCc1ccc(Oc2cc(CN)ccc2C(F)(F)F)cc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 2/20 0.38
AR P10275 1/20 0.37
EPHX2 P34913 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH1 O75874 1/20 0.36
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 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
SCHEMBL4614901 0.85 PPARD (0.43) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL4614951 0.80 PPARD (0.49) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL3924711 0.80 LOXL2 (0.42) FFAR1MEN1KMT2AGAA
SCHEMBL4615129 0.79 PPARG (0.49) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL4615204 0.77 HTR2A (0.45) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL4614962 0.77 SCN9A (0.44) PPARGPPARDPPARAAR
SCHEMBL4614603 0.77 PPARG (0.41) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL4614607 0.76 PPARG (0.40) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL4614273 0.74 PPARG (0.42) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL4516434 0.72 PPARG (0.45) PPARGPPARDPPARAFFAR1FFAR4

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 PPARG 1/4885PPARD 3/4885PPARA 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.