SCHEMBL3969816

SCHEMBL3969816

CCC(Oc1ccc(SCc2ccc3cn(-c4ccc(C(F)(F)F)cc4)nc3c2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.42
PPARD Q03181 7/20 0.42
PPARG P37231 6/20 0.41
GCG P01275 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PTPN1 P18031 2/20 0.36
GCGR P47871 2/20 0.36
PTGES O14684 1/20 0.35

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
SCHEMBL3960606 0.90 PPARA (0.53) PPARAPPARDPPARGGCGPTGDR2
SCHEMBL3968729 0.90 PPARD (0.47) PPARAPPARDPPARGPTGDR2
SCHEMBL3968800 0.86 PPARD (0.43) PPARAPPARDPPARGGCGPTGDR2
SCHEMBL3964493 0.84 PPARA (0.48) PPARAPPARDPPARGPTGDR2
SCHEMBL3968731 0.83 PPARD (0.39) PPARAPPARDPPARGGCGPTGDR2
SCHEMBL3968462 0.82 PPARA (0.41) PPARAPPARDPPARGGCGPTPN1
SCHEMBL3970889 0.82 PPARA (0.42) PPARAPPARDPPARGGCGPTPN1
SCHEMBL3920695 0.79 PPARA (0.48) PPARAPPARDPPARGPTPN1
SCHEMBL3969811 0.78 PPARD (0.49) PPARAPPARDPPARGPTGDR2
SCHEMBL3967978 0.78 PPARD (0.43) PPARAPPARDPPARG

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
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US claimed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US claimed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP claimed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO claimed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885PPARG 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.