SCHEMBL3965058

SCHEMBL3965058

CCc1cc(SC(c2ccc(C(F)(F)F)cc2)c2cccc3[nH]ncc23)ccc1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.41
TRPV1 Q8NER1 4/20 0.41
PPARA Q07869 2/20 0.40

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
SCHEMBL3961095 0.91 PPARD (0.55) PPARDPPARA
SCHEMBL5708274 0.86 TRPV1 (0.43) PPARDTRPV1PPARA
SCHEMBL3965580 0.84 PPARD (0.45) PPARDTRPV1PPARA
SCHEMBL3964879 0.81 TRPV1 (0.42) PPARDTRPV1PPARA
SCHEMBL3964385 0.80 PPARD (0.46) PPARDTRPV1PPARA
SCHEMBL3964305 0.78 PPARD (0.55) PPARDPPARA
SCHEMBL3964640 0.77 TRPV1 (0.44) PPARDTRPV1PPARA
SCHEMBL4845562 0.76 PPARD (0.39) PPARDPPARA
SCHEMBL4794224 0.76 PPARD (0.59) PPARDPPARA
SCHEMBL6218742 0.74 PPARD (0.46) PPARDPPARA

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 6 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
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 PPARD 1/4885PTGDR2 96/4885TRPV1 528/4885

“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.