SCHEMBL5360733

SCHEMBL5360733

CCN(C(=O)COc1ccc(C[C@H](OC)C(=O)O)cc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PPARG P37231 6/20 0.52
PPARA Q07869 6/20 0.52
PPARD Q03181 5/20 0.52
POLB P06746 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.50
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL6148806 0.86 MEN1 (0.61) PPARGPPARAPPARD
SCHEMBL5364857 0.82 PPARA (0.65) SMN1; SMN2PPARGPPARAPPARD
SCHEMBL5364021 0.82 TRPM8 (0.48) PPARGPPARAPPARDTRPM8LMNA
SCHEMBL5024524 0.81 MEN1 (0.52) SMN1; SMN2PPARGPPARAPPARD
SCHEMBL5396376 0.81 PPARA (0.52) PPARGPPARAPPARD
SCHEMBL5027071 0.81 MEN1 (0.51) PPARGPPARAPPARDPOLBTP53
SCHEMBL6151270 0.80 PPARA (0.50) PPARGPPARAPPARDLMNA
SCHEMBL5360759 0.79 PPARA (0.49) PPARGPPARAPPARD
SCHEMBL4036418 0.75 GAA (0.54) GAASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL23355678 0.75 GAA (0.53) GAASMN1; SMN2CYP1A2CYP3A4CYP2C9

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
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 GAA 2083/4885SMN1; SMN2 4530/4885CYP1A2 883/4885

“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.