SCHEMBL5357650

SCHEMBL5357650

CO[C@@H](Cc1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.55
PPARD Q03181 5/20 0.55
PPARA Q07869 5/20 0.55
PTPN1 P18031 1/20 0.53
CASR P41180 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CNR1 P21554 4/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CNR2 P34972 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3960419 1.00 PPARG (0.55) PPARGPPARDPPARAPTPN1CASR
SCHEMBL5721570 0.91 PPARG (0.53) PPARGPPARDPPARAPTPN1SMN1; SMN2
SCHEMBL3960340 0.87 SMN1; SMN2 (0.60) PPARGPPARDPPARAPTPN1SMN1; SMN2
SCHEMBL3960334 0.87 SMN1; SMN2 (0.60) PPARGPPARDPPARAPTPN1SMN1; SMN2
SCHEMBL6148812 0.86 PTPN1 (0.68) PPARGPPARDPPARAPTPN1SMN1; SMN2
SCHEMBL3967486 0.83 PTPN1 (0.67) PPARGPPARDPPARAPTPN1SMN1; SMN2
SCHEMBL3967478 0.83 PTPN1 (0.67) PPARGPPARDPPARAPTPN1SMN1; SMN2
SCHEMBL6150240 0.83 PPARG (0.53) PPARGPPARDPPARAPTPN1SMN1; SMN2
SCHEMBL3963646 0.82 KDM4E (0.58) PPARGPPARDPPARAPTPN1KDM4E
SCHEMBL3968494 0.82 ALDH1A1 (0.60) PPARGPPARDPPARAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US disclosed
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 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-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARG 1/4885PPARD 3/4885PPARA 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.