SCHEMBL4187876

SCHEMBL4187876

CCOC(=O)C(C)(C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MMP8 P22894 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
THRB P10828 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1562023 0.85 ALDH1A1 (0.50) ALOX15CYP4F2CYP4A11ALDH1A1PKM
Hydrochloric Acid SCHEMBL5446995 0.82 ALDH1A1 (0.48) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL31238899 0.82 ALOX15 (0.46) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL634973 0.82 ALOX15 (0.46) ALOX15CYP4F2CYP4A11ALDH1A1PKM
Butane SCHEMBL11358505 0.80 ALDH1A1 (0.46) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL2485258 0.79 ALOX15 (0.48) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL14403293 0.79 ALOX15 (0.48) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL556528 0.78 ALDH1A1 (0.48) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL1299895 0.78 CYP4F2 (0.44) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL28388180 0.78 ALOX15 (0.52) ALOX15CYP4F2CYP4A11ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101072760-B Malonamide derivatives as gamma-secretase inhibitors for the treatment of Alzheimer's disease F. HOFFMANN-LA ROCHE AG (CH) 2011-12-28 CN disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
CN-101410378-A Malonamide derivatives as gamma secretase inhibitors HOFFMANN LA ROCHE (CH) 2009-04-15 CN disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
CN-101072760-A Malonamide derivatives as gamma-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2007-11-14 CN disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD ALOX15 436/4885CYP4F2 1191/4885CYP4A11 430/4885

“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.