SCHEMBL5217445

SCHEMBL5217445

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.41
PPARG P37231 6/20 0.41
PPARA Q07869 4/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TARBP2 Q15633 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
FFAR1 O14842 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
SCHEMBL5218118 0.91 PPARD (0.43) PPARDPPARGPPARAGAAMAPT
SCHEMBL5221269 0.89 PPARD (0.55) PPARDPPARGPPARAMAPTMEN1
SCHEMBL5222050 0.87 PPARD (0.43) PPARDPPARGPPARAMAPTALDH1A1
SCHEMBL5216008 0.82 PPARD (0.51) PPARDPPARGPPARATARBP2FFAR1
SCHEMBL5218950 0.81 PPARD (0.37) PPARDPPARGPPARAGAAMAPT
SCHEMBL5215868 0.81 PPARG (0.41) PPARDPPARGPPARAGAAMAPT
SCHEMBL5852523 0.81 PPARG (0.41) PPARDPPARGPPARAGAAMAPT
SCHEMBL5217405 0.81 PPARD (0.48) PPARDPPARGPPARATARBP2FFAR1
SCHEMBL5221878 0.81 PPARD (0.65) PPARDPPARGPPARAFFAR1
SCHEMBL5219192 0.81 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.