SCHEMBL3966176

SCHEMBL3966176

O=C(O)Cc1csc2cc(SCc3cccc4nn(-c5ccc(C(F)(F)F)cc5)cc34)ccc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.51
PPARD Q03181 8/20 0.51
PPARG P37231 9/20 0.49
ADORA3 P0DMS8 4/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.35
AKR1B1 P15121 2/20 0.34

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
SCHEMBL3969637 0.89 PPARA (0.49) PPARAPPARDPPARGADORA3PTGDR2
SCHEMBL13865163 0.86 PPARD (0.48) PPARAPPARDPPARGPTGDR2
SCHEMBL3964298 0.85 PPARA (0.50) PPARAPPARDPPARGADORA3PTGDR2
SCHEMBL4479616 0.84 PPARD (0.47) PPARAPPARDPPARGPTGDR2AKR1B1
SCHEMBL3920206 0.79 PPARD (0.53) PPARAPPARDPPARG
SCHEMBL3922058 0.79 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL5708181 0.78 PPARD (0.44) PPARAPPARDPPARGADORA3AKR1B1
SCHEMBL4460350 0.78 PPARD (0.46) PPARAPPARDPPARGPTGDR2
SCHEMBL4460354 0.78 PPARD (0.46) PPARAPPARDPPARGPTGDR2
SCHEMBL3964651 0.78 PPARD (0.40) PPARAPPARDPPARGADORA3

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-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-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
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
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 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.