SCHEMBL3970889

SCHEMBL3970889

CCC(Oc1ccc(SCc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.42
PPARD Q03181 4/20 0.42
PPARG P37231 10/20 0.40
GCG P01275 2/20 0.39
PTPN1 P18031 2/20 0.36
GCGR P47871 1/20 0.36
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL3965156 0.90 PPARA (0.53) PPARAPPARDPPARGGCGGCGR
SCHEMBL3968462 0.87 PPARA (0.41) PPARAPPARDPPARGGCGPTPN1
SCHEMBL3960605 0.84 PPARA (0.46) PPARAPPARDPPARGPARP1PARP2
SCHEMBL3969816 0.82 PPARA (0.42) PPARAPPARDPPARGGCGPTPN1
SCHEMBL3931085 0.80 PPARD (0.47) PPARAPPARDPPARGPTPN1
SCHEMBL5708238 0.79 PPARG (0.40) PPARAPPARDPPARGGCGPTPN1
SCHEMBL3927553 0.78 PTPN1 (0.49) PPARAPPARDPPARGPTPN1
SCHEMBL3970887 0.78 PPARD (0.48) PPARAPPARDPPARG
SCHEMBL3928521 0.78 PPARA (0.47) PPARAPPARDPPARGPTPN1PARP1
SCHEMBL3965152 0.77 PPARD (0.57) PPARAPPARDPPARG

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 8 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
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP claimed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO 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 PPARA 2/4885PPARD 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.