SCHEMBL14280523

SCHEMBL14280523

CCOC(=O)C(C)(CC(C)=O)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL16751239 0.90 MMP8 (0.43) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL9785125 0.83 MMP8 (0.44) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL1076676 0.82 GAA (0.48) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL14218515 0.82 CYP4F2 (0.50) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL10841216 0.78 MMP8 (0.49) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL7512223 0.78 MMP8 (0.52) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL28728412 0.77 ALDH1A1 (0.44) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL2316349 0.77 MMP8 (0.47) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL7065134 0.77 MMP8 (0.43) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL11700414 0.77 MMP8 (0.43) MMP8ALDH1A1LMNAHSD17B10PKM

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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 US disclosed
WO-2015077521-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. (US) 2015-05-28 WO disclosed
WO-2015077520-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2015-05-28 WO disclosed
US-20080027229-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-31 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-20080027229-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MMP8 1699/4885ALDH1A1 1035/4885LMNA 1879/4885
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK MMP8 338/4885ALDH1A1 1832/4885LMNA 645/4885

“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.