SCHEMBL4614962

SCHEMBL4614962

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.44
AR P10275 6/20 0.44
FPR2 P25090 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 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
SCHEMBL4614901 0.83 PPARD (0.43) SCN9APPARGPPARDPPARA
SCHEMBL4616535 0.78 PPARG (0.42) PPARGPPARDPPARA
SCHEMBL4616403 0.77 PPARG (0.41) ARPPARGPPARDPPARA
SCHEMBL4616974 0.77 KMT2A (0.36) ARPPARGPPARDPPARA
SCHEMBL4614915 0.75 CYP3A4 (0.41) PPARGPPARDPPARA
SCHEMBL4616440 0.75 PPARG (0.38) PPARGPPARDPPARA
SCHEMBL4503410 0.74 PPARG (0.45) PPARGPPARDPPARA
SCHEMBL4614951 0.74 PPARD (0.49) PPARGPPARDPPARA
SCHEMBL63388 0.73 KMT2A (0.55)
SCHEMBL4517850 0.73 PPARG (0.42) PPARGPPARDPPARA

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
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
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 SCN9A 3080/4885AR 277/4885FPR2 1053/4885

“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.