SCHEMBL5514528

SCHEMBL5514528

COC(=O)CC(=O)C(C)OC(=O)c1ccc(Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 2/20 0.51
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
NAPRT Q6XQN6 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9302968 0.78 POLB (0.60) SMN1; SMN2POLBPKMNPC1GAA
SCHEMBL9302975 0.78 POLB (0.60) SMN1; SMN2POLBPKMNPC1GAA
SCHEMBL3869968 0.78 POLB (0.58) SMN1; SMN2POLBPKMNPC1GAA
SCHEMBL29552438 0.76 MAPK1 (0.65) SMN1; SMN2POLBPKMGAAL3MBTL1
SCHEMBL64640 0.76 MAPK1 (0.65) SMN1; SMN2POLBPKMGAAL3MBTL1
SCHEMBL29776105 0.75 MAPK1 (0.62) SMN1; SMN2POLBPKMGAAL3MBTL1
SCHEMBL20241211 0.75 MAPK1 (0.62) SMN1; SMN2POLBPKMGAAL3MBTL1
SCHEMBL4894338 0.74 PDCD1 (0.60) SMN1; SMN2PKMNPC1GAARAB9A
SCHEMBL8409678 0.72 SMN1; SMN2 (0.54) SMN1; SMN2POLBPKMNPC1GAA
SCHEMBL6622769 0.71 SMN1; SMN2 (0.67) SMN1; SMN2POLBPKMNPC1GAA

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
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US claimed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US claimed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072102-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-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD SMN1; SMN2 3832/4885POLB 2483/4885PKM 1004/4885

“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.