SCHEMBL5513499

SCHEMBL5513499

CCOC(=O)COc1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CC)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.53
FFAR1 O14842 5/20 0.52
PPARA Q07869 11/20 0.47
PPARG P37231 9/20 0.47
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL5509821 0.92 PPARD (0.63) PPARDFFAR1PPARAPPARG
SCHEMBL5510531 0.91 PPARD (0.62) PPARDFFAR1PPARAPPARG
SCHEMBL5511950 0.84 PPARD (0.54) PPARDFFAR1PPARAPPARG
SCHEMBL5512102 0.83 PPARD (0.76) PPARDFFAR1PPARAPPARG
SCHEMBL5510557 0.79 PPARD (0.82) PPARDFFAR1PPARAPPARG
SCHEMBL5513407 0.78 PPARD (0.59) PPARDFFAR1PPARAPPARG
SCHEMBL5516731 0.78 PPARD (0.64) PPARDFFAR1PPARAPPARG
SCHEMBL5515748 0.76 PPARD (0.61) PPARDFFAR1PPARAPPARG
SCHEMBL5514539 0.76 PPARD (0.65) PPARDFFAR1PPARAPPARG
SCHEMBL5526130 0.74 PPARD (0.66) PPARDFFAR1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP 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 (1 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-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885FFAR1 48/4885PPARA 2/4885

“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.