SCHEMBL3930352

SCHEMBL3930352

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.49
PPARG P37231 9/20 0.49
PTPN1 P18031 3/20 0.46
PPARA Q07869 12/20 0.45
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 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
SCHEMBL3920741 0.90 PPARD (0.56) PPARDPPARGPTPN1PPARAS1PR1
SCHEMBL3920152 0.86 PPARD (0.49) PPARDPPARGPTPN1PPARA
SCHEMBL3927553 0.86 PTPN1 (0.49) PPARDPPARGPTPN1PPARA
SCHEMBL3930348 0.82 PPARD (0.47) PPARDPPARGPTPN1PPARA
SCHEMBL3916293 0.82 PPARD (0.47) PPARDPPARGPTPN1PPARA
SCHEMBL3921077 0.81 PPARD (0.44) PPARDPPARGPTPN1PPARA
SCHEMBL3928991 0.81 PTPN1 (0.49) PPARDPPARGPTPN1PPARA
SCHEMBL3930350 0.79 PPARD (0.61) PPARDPPARGPTPN1PPARA
SCHEMBL3920736 0.78 PPARD (0.71) PPARDPPARGPPARA
SCHEMBL3920146 0.76 PPARD (0.59) PPARDPPARGPPARA

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 3/4885PPARG 2/4885PTPN1 2807/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD PPARD 3/4885PPARG 2/4885PTPN1 2772/4885

“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.