SCHEMBL3965601

SCHEMBL3965601

CC(Sc1ccc2c(CC(=O)O)csc2c1)c1cccc2cn(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.46
PPARA Q07869 10/20 0.46
PPARG P37231 4/20 0.46
PARP1 P09874 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
AKR1B1 P15121 1/20 0.34
PTGES O14684 1/20 0.33
PARP2 Q9UGN5 2/20 0.33
PARP3 Q9Y6F1 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL5708181 0.90 PPARD (0.44) PPARDPPARAPPARGPARP1ADORA3
SCHEMBL5708179 0.89 PPARD (0.46) PPARDPPARAPPARGPARP1ADORA3
SCHEMBL3962077 0.85 PPARD (0.47) PPARDPPARAPPARGPARP1ADORA3
SCHEMBL3969637 0.84 PPARA (0.49) PPARDPPARAPPARGPARP1ADORA3
SCHEMBL5708243 0.80 PPARD (0.40) PPARDPPARAPPARGPARP1
SCHEMBL13791623 0.79 PPARD (0.43) PPARDPPARA
SCHEMBL3963872 0.78 PPARD (0.51) PPARDPPARA
SCHEMBL4460350 0.78 PPARD (0.46) PPARDPPARAPPARGPTGDR2
SCHEMBL4460354 0.78 PPARD (0.46) PPARDPPARAPPARGPTGDR2
SCHEMBL13647654 0.77 PPARD (0.44) PPARDPPARAPPARGAKR1B1PTGES

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 5 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-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

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 PPARD 1/4885PPARA 2/4885PPARG 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.