SCHEMBL1008347

SCHEMBL1008347

COc1ccc(COCCCCCCCC(=O)NC(CC(=O)OCc2ccccc2)CN(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
HDAC2 Q92769 2/20 0.41
MMP1 P03956 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL1008346 1.00 L3MBTL1 (0.47) L3MBTL1TDP1ALDH1A1KMT2AEPHX2
SCHEMBL1009949 0.93 EPHX2 (0.46) L3MBTL1ALDH1A1KMT2AEPHX2MMP1
SCHEMBL1009950 0.93 EPHX2 (0.46) L3MBTL1ALDH1A1KMT2AEPHX2MMP1
SCHEMBL1007683 0.93 GAA (0.49) ALDH1A1GAALPAR1LPAR3HDAC2
SCHEMBL1007682 0.93 GAA (0.49) ALDH1A1GAALPAR1LPAR3HDAC2
SCHEMBL1006974 0.91 HDAC1 (0.47) ALDH1A1KMT2AEPHX2MMP1HDAC1
SCHEMBL1006975 0.91 HDAC1 (0.47) ALDH1A1KMT2AEPHX2MMP1HDAC1
SCHEMBL1008721 0.90 EPHX2 (0.42) ALDH1A1KMT2AEPHX2LPAR1LPAR3
SCHEMBL1008719 0.90 EPHX2 (0.42) ALDH1A1KMT2AEPHX2LPAR1LPAR3
SCHEMBL1005774 0.89 L3MBTL1 (0.45) L3MBTL1TDP1ALDH1A1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280935-B1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8673946-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2013-01-31 US disclosed
US-8349893-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8344027-B2 4-dimethylaminobutyric acid derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 US disclosed
EP-2280935-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009132979-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 US disclosed
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-29 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 (4 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-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 L3MBTL1 1452/4885TDP1 2013/4885ALDH1A1 177/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 L3MBTL1 1676/4885TDP1 2520/4885ALDH1A1 185/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 L3MBTL1 1452/4885TDP1 2013/4885ALDH1A1 177/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 L3MBTL1 1676/4885TDP1 2520/4885ALDH1A1 185/4885

“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.