SCHEMBL4468828

SCHEMBL4468828

Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.46
PPARG P37231 4/20 0.46
IKBKB O14920 1/20 0.46
PPARA Q07869 3/20 0.43
PTPN1 P18031 3/20 0.43
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
PDE2A O00408 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4464845 0.89 PPARD (0.48) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL4468865 0.82 PPARD (0.48) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL4475278 0.81 PPARD (0.45) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL11959550 0.80 PPARD (0.49) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL4464216 0.79 PPARD (0.46) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL5216456 0.78 PTPN1 (0.52) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL3750846 0.76 PPARD (0.46) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL4475310 0.76 IKBKB (0.44) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL13679017 0.76 PTPN1 (0.53) PPARDPPARGIKBKBPPARAPTPN1
SCHEMBL1980612 0.76 PPARG (0.53) PPARDPPARGIKBKBPPARAPTPN1

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 15 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
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
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
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-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE 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 PPARD 2/4885PPARG 3/4885IKBKB 1096/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885PPARG 1/4885IKBKB 4269/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARD 3/4885PPARG 1/4885IKBKB 857/4885

“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.