SCHEMBL4479582

SCHEMBL4479582

CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.56
PPARA Q07869 8/20 0.56
PPARG P37231 6/20 0.56
MAPT P10636 2/20 0.53
FFAR1 O14842 6/20 0.52
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL4473367 0.85 MAPT (0.57) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL6604582 0.85 PTGDR2 (0.60) PPARDMAPTFFAR1KDM4EPTGDR2
SCHEMBL6608210 0.84 PTGDR2 (0.63) PPARGKDM4EPTGDR2ALDH1A1
SCHEMBL3536310 0.83 PPARD (0.53) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL9555461 0.82 PPARD (0.50) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL4469407 0.82 FFAR1 (0.46) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL5023897 0.82 PPARD (0.75) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL4679933 0.81 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL4471129 0.81 MAPT (0.44) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL4470040 0.80 FFAR1 (0.47) PPARDPPARAPPARGMAPTFFAR1

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-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

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 PPARD 2/4885PPARA 1/4885PPARG 3/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885

“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.