SCHEMBL4474019

SCHEMBL4474019

CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc2c(C(C)C(=O)O)coc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.49
PPARG P37231 10/20 0.49
PPARA Q07869 12/20 0.48
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PTPN1 P18031 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AR P10275 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
SCHEMBL4482229 0.92 PPARA (0.44) PPARDPPARGPPARAPTPN1
SCHEMBL4474748 0.87 PPARD (0.62) PPARDPPARGPPARA
SCHEMBL4463176 0.79 PPARD (0.56) PPARDPPARGPPARAPTPN1
SCHEMBL4469255 0.76 PPARD (0.59) PPARDPPARGPPARAPTPN1
SCHEMBL4476993 0.76 PPARD (0.59) PPARDPPARGPPARAPTPN1
SCHEMBL4679101 0.76 PPARD (0.53) PPARDPPARGPPARAPTPN1
SCHEMBL5606596 0.74 PPARD (0.45) PPARDPPARGPPARAMAOAMAOB
SCHEMBL6219975 0.74 PPARD (0.60) PPARDPPARGPPARAS1PR1S1PR3
SCHEMBL4480854 0.72 PPARD (0.62) PPARDPPARGPPARAPTPN1
SCHEMBL4476635 0.70 PPARD (0.49) PPARDPPARGPPARAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP claimed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO claimed
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
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARD 3/4885PPARG 1/4885PPARA 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.