SCHEMBL5222050

SCHEMBL5222050

COC(=O)CCc1ccc(OCC(C)c2sc(-c3ccc(-c4cccnc4)cc3)nc2C(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.43
PPARG P37231 3/20 0.43
PPARA Q07869 2/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PSMB5 P28074 3/20 0.35
HDAC1 Q13547 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
FFAR1 O14842 1/20 0.35
SMPD1 P17405 1/20 0.35
PORCN Q9H237 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5215601 0.92 PPARD (0.51) PPARDPPARGPPARAKDM4EFFAR1
SCHEMBL5217445 0.87 PPARD (0.41) PPARDPPARGPPARACCNCCDK8
SCHEMBL5221269 0.85 PPARD (0.55) PPARDPPARGPPARAKDM4EMAPT
SCHEMBL5217405 0.83 PPARD (0.48) PPARDPPARGPPARAFFAR1
SCHEMBL5216008 0.83 PPARD (0.51) PPARDPPARGPPARAFFAR1
SCHEMBL4677847 0.81 PPARG (0.47) PPARDPPARGPPARACCNCCDK8
SCHEMBL5217716 0.80 PPARD (0.42) PPARDPPARGPPARACCNCCDK8
SCHEMBL5218118 0.78 PPARD (0.43) PPARDPPARGPPARACCNCCDK8
SCHEMBL5221878 0.77 PPARD (0.65) PPARDPPARGPPARAFFAR1
SCHEMBL5219192 0.77 PPARD (0.65) PPARDPPARGPPARAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072100-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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885PPARG 1/4885PPARA 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.