SCHEMBL3918907

SCHEMBL3918907

CCOC(=O)C(CC)Oc1ccc(SCc2cccc3sc(-c4ccc(C(F)(F)F)cc4)nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.46
PPARA Q07869 10/20 0.46
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
PPARG P37231 3/20 0.41
PTPN1 P18031 2/20 0.37

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
SCHEMBL3931085 0.92 PPARD (0.47) PPARDPPARAPPARGPTPN1
SCHEMBL3929588 0.84 PPARA (0.44) PPARDPPARAPPARGPTPN1
SCHEMBL3919014 0.83 PPARD (0.44) PPARDPPARAKDM4EMEN1HSP90AA1
SCHEMBL3922868 0.79 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL3924728 0.79 PPARA (0.49) PPARDPPARAPPARGPTPN1
SCHEMBL13647503 0.78 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL3930348 0.78 PPARD (0.47) PPARDPPARAPPARGPTPN1
SCHEMBL3931279 0.78 PPARD (0.49) PPARDPPARAKDM4EMEN1HSP90AA1
SCHEMBL6218593 0.78 PPARA (0.42) PPARDPPARAMAPTPPARG
SCHEMBL3918237 0.77 PPARD (0.48) PPARDPPARAKDM4EMEN1HSP90AA1

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-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-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
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (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 1/4885KDM4E 2426/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885KDM4E 2460/4885

“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.