SCHEMBL4470645

SCHEMBL4470645

FC(F)(F)c1ccc(-c2nc(C(S)c3ccc(Br)cc3)c(CCl)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
FFAR1 O14842 10/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
AHR P35869 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
CHRM5 P08912 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4471055 0.89 FFAR1 (0.39) MAPTFFAR1NPC1ALDH1A1GAA
SCHEMBL1672351 0.78 FFAR1 (0.45) MAPTFFAR1NPC1ALDH1A1GAA
SCHEMBL4808117 0.77 MAPT (0.43) MAPTFFAR1NPC1ALDH1A1GAA
SCHEMBL4473140 0.75 MAPT (0.61) MAPTNPC1ALDH1A1GAAKDM4E
SCHEMBL4470650 0.73 PPARD (0.46) MAPTFFAR1NPC1ALDH1A1GAA
SCHEMBL977726 0.71 MAPT (0.59) MAPTFFAR1NPC1ALDH1A1GAA
SCHEMBL4808200 0.70 MAPT (0.46) MAPTFFAR1NPC1ALDH1A1GAA
Hydrochloric Acid SCHEMBL4678249 0.70 MAPT (0.58) MAPTFFAR1NPC1ALDH1A1GAA
SCHEMBL4466739 0.69 MAPT (0.46) MAPTFFAR1NPC1ALDH1A1GAA
SCHEMBL4473382 0.69 MAPT (0.46) MAPTFFAR1NPC1ALDH1A1GAA

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 9 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-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
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 2395/4885FFAR1 46/4885NPC1 862/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD MAPT 3515/4885FFAR1 25/4885NPC1 638/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD MAPT 4861/4885FFAR1 48/4885NPC1 574/4885

“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.