SCHEMBL3927645

SCHEMBL3927645

CCc1cc(SCc2cccc3[nH]c(-c4ccc(C(F)(F)F)cc4)nc23)ccc1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.52
PPARA Q07869 8/20 0.52
PPARG P37231 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.47
PARP1 P09874 1/20 0.46

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
SCHEMBL3924746 0.92 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL3916285 0.87 PPARD (0.52) PPARDPPARAPPARGPTGDR2
SCHEMBL6218742 0.85 PPARD (0.46) PPARDPPARAPARP1
SCHEMBL13647659 0.85 PPARD (0.51) PPARDPPARAPPARGPARP1
SCHEMBL3919414 0.83 PPARD (0.50) PPARDPPARAPPARGPTGDR2
SCHEMBL3927546 0.82 PPARD (0.61) PPARDPPARAPPARGPTGDR2
SCHEMBL3931076 0.82 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL3930719 0.81 PPARD (0.55) PPARDPPARAPPARGPTGDR2
SCHEMBL3927556 0.81 PARP1 (0.50) PPARDPPARAPPARGPTGDR2PARP1
SCHEMBL3919962 0.81 PARP1 (0.46) PPARDPPARAPPARGPARP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 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 (2 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885

“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.