SCHEMBL4477672

SCHEMBL4477672

CCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
PPARD Q03181 7/20 0.43
FFAR1 O14842 6/20 0.43
PPARA Q07869 6/20 0.43
PPARG P37231 5/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
DCK P27707 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL1553173 0.92 MAPT (0.45) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4466739 0.89 MAPT (0.46) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4477482 0.86 MAPT (0.48) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4808200 0.85 MAPT (0.46) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4463226 0.84 PPARD (0.44) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4467878 0.83 MAPT (0.42) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4469584 0.83 MAPT (0.44) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4809136 0.82 PPARD (0.43) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4808453 0.82 MAPT (0.45) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4809696 0.81 MAPT (0.44) MAPTPPARDFFAR1PPARAPPARG

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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 (3 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG MAPT 2395/4885PPARD 2/4885FFAR1 46/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD MAPT 3515/4885PPARD 3/4885FFAR1 25/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD MAPT 4861/4885PPARD 3/4885FFAR1 48/4885

“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.