SCHEMBL4614843

SCHEMBL4614843

COC(=O)CCc1ccc(Oc2cc(F)cc([C@@H](C)NC(=O)c3ccc(C(F)(F)F)cc3OC)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.45
PPARD Q03181 11/20 0.45
PPARA Q07869 11/20 0.45
PDE2A O00408 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL4614848 1.00 PPARG (0.45) PPARGPPARDPPARAPDE2ANPC1
SCHEMBL4614261 0.94 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL4614789 0.94 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL4616957 0.94 PPARG (0.51) PPARGPPARDPPARAPDE2AKCNQ3
SCHEMBL4616961 0.94 PPARG (0.51) PPARGPPARDPPARAPDE2AKCNQ3
SCHEMBL4614583 0.91 PPARG (0.46) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL4614591 0.91 PPARG (0.46) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL4614535 0.86 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL4614528 0.86 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL4616237 0.86 PPARA (0.56) PPARGPPARDPPARAPDE2ASCN8A

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.