SCHEMBL3966971

SCHEMBL3966971

O=C(O)Cc1cccc(SCc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.48
PPARG P37231 7/20 0.48
CYP2C9 P11712 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
PARP1 P09874 4/20 0.38
PPARD Q03181 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PARP2 Q9UGN5 2/20 0.37
PARP3 Q9Y6F1 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5904716 0.85 PPARA (0.47) PPARAPPARGCYP2C9PPARDPTGDR2
SCHEMBL3969637 0.83 PPARA (0.49) PPARAPPARGADORA3PARP1PPARD
SCHEMBL3963382 0.83 ADORA3 (0.47) CYP2C9ADORA3PARP1PARP2PARP3
SCHEMBL3961112 0.81 PPARD (0.41) PPARAPPARGPARP1PPARD
SCHEMBL3965152 0.81 PPARD (0.57) PPARAPPARGPPARD
SCHEMBL3970887 0.81 PPARD (0.48) PPARAPPARGPPARDPTGDR2
SCHEMBL3962075 0.79 PPARD (0.55) PPARAPPARGPPARD
SCHEMBL13647505 0.79 PPARA (0.49) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL6143442 0.78 PPARA (0.43) PPARAPPARGCYP2C9PPARDPTGDR2
SCHEMBL3960605 0.78 PPARA (0.46) PPARAPPARGPARP1PPARDPARP2

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 2/4885PPARG 3/4885CYP2C9 301/4885

“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.