SCHEMBL3964879

SCHEMBL3964879

Cc1cc(SC(c2ccc(C(F)(F)F)cc2)c2cccc3[nH]ncc23)ccc1CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.42
PPARD Q03181 9/20 0.39
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
IDO1 P14902 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
SCHEMBL3963247 0.87 PPARD (0.39) PPARDPPARGPPARA
SCHEMBL3961095 0.85 PPARD (0.55) PPARDPPARA
SCHEMBL3964385 0.81 PPARD (0.46) TRPV1PPARDPPARGPPARA
SCHEMBL3965058 0.81 PPARD (0.46) TRPV1PPARDPPARA
SCHEMBL5904710 0.79 PPARD (0.43) PPARDPPARGPPARA
SCHEMBL3965580 0.79 PPARD (0.45) TRPV1PPARDPPARA
SCHEMBL5708274 0.79 TRPV1 (0.43) TRPV1PPARDPPARGPPARA
SCHEMBL3963617 0.78 PPARD (0.35) TRPV1PPARDPPARGPPARA
SCHEMBL5904794 0.77 PPARD (0.42) PPARDPPARGPPARA
SCHEMBL5904848 0.77 PPARD (0.42) PPARDPPARGPPARA

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 TRPV1 528/4885PPARD 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.