SCHEMBL4478993

SCHEMBL4478993

CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARA Q07869 7/20 0.44
PPARD Q03181 7/20 0.43
IKBKB O14920 1/20 0.42
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 2/20 0.39
UTRN P46939 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHKA P35790 1/20 0.37

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
SCHEMBL6608776 0.85 PPARG (0.42) PPARGPPARAPPARDUTRNALDH1A1
SCHEMBL3968786 0.83 NOTUM (0.42) PPARGPPARAPPARDIKBKBHEXA
SCHEMBL4476959 0.83 PPARG (0.45) PPARGPPARAPPARDIKBKBHEXA
SCHEMBL4890697 0.83 PPARA (0.54) PPARGPPARAIKBKBKDM4EL3MBTL1
SCHEMBL4065595 0.83 PPARG (0.44) PPARGPPARAPPARDKDM4ENOTUM
SCHEMBL18095687 0.83 PPARG (0.54) PPARGPPARAPPARDIKBKBKDM4E
SCHEMBL18095717 0.83 PPARG (0.46) PPARGPPARAPPARDKDM4ELMNA
SCHEMBL9910339 0.83 ESR2 (0.46) PPARGPPARAPPARD
SCHEMBL6603331 0.81 PPARA (0.47) PPARGPPARAPPARDKDM4ENOTUM
SCHEMBL820999 0.81 PPARD (0.56) PPARGPPARAPPARDIKBKBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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 (3 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG PPARG 3/4885PPARA 1/4885PPARD 2/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885PPARD 3/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885PPARD 3/4885

“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.