SCHEMBL13332175

SCHEMBL13332175

CCCCCC[C@@](C)(S)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HTT P42858 1/20 0.46
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CES2 O00748 2/20 0.39
FAAH O00519 4/20 0.37
CES1 P23141 3/20 0.37
NAAA Q02083 1/20 0.37
DGKA P23743 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL12149521 1.00 MEN1 (0.54) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL8850268 1.00 MEN1 (0.54) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL10940220 0.92 CYP4F2 (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL15255236 0.86 MEN1 (0.41) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL8998689 0.86 MEN1 (0.41) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL13547601 0.84 CYP4F2 (0.44) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL28952305 0.83 CES2 (0.40) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11087126 0.83 MAPT (0.44) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL28534829 0.81 MEN1 (0.54) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL25189076 0.81 MEN1 (0.57) MEN1KMT2AMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120901-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN,INC (US) 2010-05-13 US disclosed
US-7649012-B2 Compounds, pharmaceutical compositions containing same, and methods of use for same FASGEN, INC. (US) 2010-01-19 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 (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-20100120901-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME CPT1A, CPT1B, CPT2 MEN1 2374/4885KMT2A 4379/4885MAPT 3579/4885

“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.