SCHEMBL4479616

SCHEMBL4479616

CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)cc1CSc1ccc2c(CC(=O)O)csc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.47
PPARA Q07869 12/20 0.47
PPARG P37231 5/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.36
PTGES O14684 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1B1 P15121 1/20 0.33
TRPA1 O75762 2/20 0.33

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
SCHEMBL13865163 0.88 PPARD (0.48) PPARDPPARAPPARGPTGDR2AKR1C3
SCHEMBL3966176 0.84 PPARA (0.51) PPARDPPARAPPARGPTGDR2AKR1B1
SCHEMBL3969637 0.83 PPARA (0.49) PPARDPPARAPPARGPTGDR2
SCHEMBL4460350 0.82 PPARD (0.46) PPARDPPARAPPARGPTGDR2
SCHEMBL4460354 0.82 PPARD (0.46) PPARDPPARAPPARGPTGDR2
SCHEMBL3964298 0.81 PPARA (0.50) PPARDPPARAPPARGPTGDR2PTGES
SCHEMBL5708181 0.79 PPARD (0.44) PPARDPPARAPPARGPTGESAKR1B1
SCHEMBL5613689 0.79 PPARD (0.47) PPARDPPARAPPARGPTGDR2
SCHEMBL5904846 0.78 PPARD (0.41) PPARDPPARAPPARGPTGDR2
SCHEMBL5904620 0.77 PPARD (0.58) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US claimed
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 3/4885PPARA 2/4885PPARG 1/4885

“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.