SCHEMBL5216035

SCHEMBL5216035

COC(=O)C(C)c1nc(-c2ccc(Br)cc2)oc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 6/20 0.54
ALDH1A1 P00352 4/20 0.43
PPARG P37231 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PDCD4 Q53EL6 1/20 0.41
PPARA Q07869 1/20 0.41
HTT P42858 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
SMPD1 P17405 1/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL13721722 0.86 TARBP2 (0.50) TARBP2ALDH1A1PPARGKDM4EHPGD
SCHEMBL4473982 0.84 PTPN1 (0.48) PPARGPPARAHDAC6HDAC1HDAC8
SCHEMBL6612985 0.80 MAPT (0.42) ALDH1A1PPARGKDM4EHPGDHSD17B10
SCHEMBL5217558 0.75 TARBP2 (0.49) TARBP2ALDH1A1PPARGKDM4EHPGD
SCHEMBL5220019 0.75 TARBP2 (0.38) TARBP2PPARGKDM4EHSD17B10PPARA
SCHEMBL3579118 0.73 TARBP2 (0.50) TARBP2ALDH1A1PPARGKDM4EHPGD
SCHEMBL1980752 0.73 TARBP2 (0.49) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5500914 0.72 TARBP2 (0.49) TARBP2ALDH1A1PPARGKDM4EHPGD
SCHEMBL5215068 0.72 TARBP2 (0.55) TARBP2ALDH1A1PPARGKDM4ECYP1A2
SCHEMBL4462656 0.72 TARBP2 (0.62) TARBP2ALDH1A1KDM4ECYP1A2CYP2C9

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 6 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
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 TARBP2 3484/4885ALDH1A1 1311/4885PPARG 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.