SCHEMBL5525599

SCHEMBL5525599

COC(=O)CCc1ccc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
PPARA Q07869 8/20 0.46
PPARD Q03181 4/20 0.46
PPARG P37231 4/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PTGES O14684 1/20 0.42
FFAR1 O14842 4/20 0.41
AHR P35869 1/20 0.40

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
SCHEMBL5515771 0.92 PPARA (0.53) NR1H4PPARAPPARDPPARGNPC1
SCHEMBL5852164 0.84 PPARD (0.45) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL5850846 0.83 PPARD (0.48) PPARAPPARDPPARGMEN1MAPT
SCHEMBL4324880 0.82 PPARD (0.50) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL5512622 0.80 PPARD (0.52) PPARAPPARDPPARGMEN1MAPT
SCHEMBL5517935 0.79 PPARA (0.53) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4324129 0.79 PPARD (0.49) PPARAPPARDPPARGMEN1MAPT
SCHEMBL5221269 0.79 PPARD (0.55) PPARAPPARDPPARGMEN1MAPT
SCHEMBL5850922 0.79 PPARD (0.47) PPARAPPARDPPARGMEN1MAPT
SCHEMBL5509268 0.78 FFAR1 (0.64) PPARAPPARDPPARGFFAR1

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 NR1H4 20/4885PPARA 2/4885PPARD 3/4885

“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.