SCHEMBL4888409

SCHEMBL4888409

CC(C)(C)OC(=O)CCc1ccc(O)cc1CNC(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 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
SCHEMBL4894628 0.87 POLB (0.48) SMN1; SMN2ALDH1A1HPGDKDM4ERAB9A
SCHEMBL4892006 0.84 EPHX2 (0.45) ALDH1A1HPGDLMNARAB9A
SCHEMBL4896349 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL3689171 0.78 EGFR (0.37) SMN1; SMN2HPGDKDM4EL3MBTL1NPC1
SCHEMBL14369969 0.78 EGFR (0.43)
SCHEMBL3692384 0.75 PPARG (0.41)
SCHEMBL4894702 0.75 EGFR (0.38)
SCHEMBL14110319 0.75 EGFR (0.40)
SCHEMBL4898444 0.74 NQO2 (0.47) ALDH1A1KDM4EGAA
SCHEMBL4896446 0.74 SYK (0.46) ALDH1A1HPGDLMNAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US 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 (2 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD TSHR 1255/4885SMN1; SMN2 4607/4885ALDH1A1 1363/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD TSHR 1255/4885SMN1; SMN2 4607/4885ALDH1A1 1363/4885

“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.