SCHEMBL3917342

SCHEMBL3917342

Cc1ccc(S(=O)(=O)OCC2CCc3sc(-c4ccc(C(F)(F)F)cc4)nc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
PPARG P37231 2/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
DUSP3 P51452 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
SCHEMBL3929047 0.94 PPARA (0.39) PPARAKDM4EMEN1KMT2ATSHR
SCHEMBL3930797 0.76 NPC1 (0.40) KDM4EMEN1KMT2AMAPTHSP90AA1
SCHEMBL4469783 0.72 PPARA (0.44) PPARAKDM4EMEN1KMT2AMAPT
SCHEMBL4472681 0.71 PPARA (0.43) PPARAKDM4EMEN1KMT2AMAPT
SCHEMBL13647472 0.70 PPARD (0.63) PPARAPPARGFFAR1PPARD
SCHEMBL4464800 0.70 PTPN1 (0.44) PPARAKDM4EMEN1KMT2AMAPT
SCHEMBL3926987 0.70 PPARD (0.44) PPARAPPARGFFAR1PPARD
SCHEMBL3917800 0.70 PPARD (0.44) PPARAPPARGFFAR1PPARD
SCHEMBL3930345 0.69 CYP11B1 (0.39) KDM4EMEN1KMT2AMAPTHSP90AA1
SCHEMBL3917847 0.69 NPC1 (0.38) PPARAKDM4EMEN1KMT2AMAPT

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 PPARA 1/4885KDM4E 2426/4885MEN1 4796/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD PPARA 1/4885KDM4E 2460/4885MEN1 4770/4885

“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.