SCHEMBL3967978

SCHEMBL3967978

CCCC(=O)Oc1ccc(SCc2ccc3cn(-c4ccc(C(F)(F)F)cc4)nc3c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.43
PPARA Q07869 11/20 0.43
PPARG P37231 3/20 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
SCHEMBL13802901 0.87 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL3967977 0.86 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL3968729 0.85 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL3960603 0.85 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL3966965 0.84 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL3964384 0.82 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL3969811 0.79 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL3968800 0.79 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL3971683 0.78 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL3969816 0.78 PPARA (0.42) PPARDPPARAPPARG

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 2 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 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.