SCHEMBL4464800

SCHEMBL4464800

CCCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
CDC25B P30305 1/20 0.44
DUSP3 P51452 1/20 0.44
PPARA Q07869 9/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
LMNA P02545 1/20 0.41
PPARD Q03181 8/20 0.41
PPARG P37231 5/20 0.41
FFAR1 O14842 4/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL4472681 0.93 PPARA (0.43) PTPN1CDC25BDUSP3PPARAMAPT
SCHEMBL4469584 0.77 MAPT (0.44) PPARAMAPTKDM4EMEN1HSP90AA1
SCHEMBL18003063 0.76 MAPT (0.48) PPARAMAPTKDM4EMEN1HSP90AA1
SCHEMBL6311561 0.76 BCHE (0.55) PTPN1MAPTMEN1KMT2ALMNA
SCHEMBL4893815 0.76 PPARA (0.50) PTPN1PPARAMAPTLMNAPPARG
SCHEMBL4471073 0.75 PPARG (0.45) PPARAKDM4EMEN1KMT2ALMNA
SCHEMBL4470121 0.75 MAPT (0.48) PPARAMAPTKDM4EMEN1HSP90AA1
SCHEMBL4893501 0.75 PPARA (0.44) PPARAMAPTKDM4EMEN1KMT2A
SCHEMBL4892388 0.74 PPARA (0.48) PPARAKMT2ALMNAPPARGALDH1A1
SCHEMBL4477482 0.74 MAPT (0.48) PPARAMAPTKDM4EMEN1HSP90AA1

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 16 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
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-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC 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 PTPN1 2276/4885CDC25B 2340/4885DUSP3 1867/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PTPN1 2288/4885CDC25B 3507/4885DUSP3 3122/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PTPN1 1032/4885CDC25B 1642/4885DUSP3 4186/4885

“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.