SCHEMBL4474651

SCHEMBL4474651

Fc1cccc(Cl)c1CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
PPARD Q03181 7/20 0.39
TAAR1 Q96RJ0 1/20 0.38
FFAR1 O14842 4/20 0.36
PPARA Q07869 3/20 0.36
TP53 P04637 2/20 0.36
PPARG P37231 2/20 0.36
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
RORB Q92753 1/20 0.34
CACNA1G O43497 1/20 0.34
KCNH2 Q12809 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13865132 0.91 PPARD (0.41) MAPTPPARDTAAR1FFAR1PPARA
SCHEMBL6218954 0.89 PPARD (0.40) MAPTPPARDTAAR1FFAR1PPARA
SCHEMBL4473708 0.81 PPARD (0.46) MAPTPPARDTAAR1FFAR1TP53
SCHEMBL4475296 0.81 PPARD (0.39) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4463226 0.80 PPARD (0.44) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4463360 0.78 MAPT (0.59) MAPTPPARDKDM4EMEN1HSP90AA1
SCHEMBL4477672 0.78 MAPT (0.47) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4809136 0.76 PPARD (0.43) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL4808200 0.76 MAPT (0.46) MAPTPPARDFFAR1PPARAPPARG
SCHEMBL1553173 0.76 MAPT (0.45) 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 13 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
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
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

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 2/4885TAAR1 704/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD MAPT 3515/4885PPARD 3/4885TAAR1 2131/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD MAPT 4861/4885PPARD 3/4885TAAR1 614/4885

“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.