SCHEMBL3920741

SCHEMBL3920741

CC(Oc1ccc(SCc2ccnc3oc(-c4ccc(C(F)(F)F)cc4)nc23)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.56
PPARA Q07869 12/20 0.56
PPARG P37231 8/20 0.51
PTPN1 P18031 3/20 0.42
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL3920152 0.91 PPARD (0.49) PPARDPPARAPPARGPTPN1
SCHEMBL3930352 0.90 PPARD (0.49) PPARDPPARAPPARGPTPN1S1PR1
SCHEMBL3919919 0.85 PPARA (0.57) PPARDPPARAPPARGPTPN1
SCHEMBL3922632 0.81 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL3917892 0.81 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL3918029 0.80 PPARA (0.57) PPARDPPARAPPARGPTPN1
SCHEMBL3920736 0.80 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL3930350 0.79 PPARD (0.61) PPARDPPARAPPARGPTPN1
SCHEMBL3930049 0.77 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL3917408 0.77 PPARD (0.47) PPARDPPARAPPARGPTPN1

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 4 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

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.