SCHEMBL13007477

SCHEMBL13007477

CC(C)(C)OC(=O)[C@H](CCC(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
LTA4H P09960 1/20 0.42
SYK P43405 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1197947 0.88 TPSAB1 (0.43) ALDH1A1L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL13397932 0.88 TPSAB1 (0.43) ALDH1A1L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL19809617 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1LTA4HSYK
SCHEMBL22023006 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1LTA4HSYK
SCHEMBL3774280 0.86 CACNA1B (0.43) L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL3774284 0.86 CACNA1B (0.43) L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL25250386 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1LTA4HSYK
SCHEMBL12574290 0.84 FOLH1 (0.48) ALDH1A1L3MBTL1MAPK1TPSAB1TPSD1
SCHEMBL11007681 0.84 FOLH1 (0.43) ALDH1A1L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL29415387 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1LTA4HSYK

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
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
WO-2009106848-A2 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2009-09-03 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 (3 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-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 ALDH1A1 1107/4885L3MBTL1 3377/4885MAPK1 3518/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 ALDH1A1 1107/4885L3MBTL1 3377/4885MAPK1 3518/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 ALDH1A1 1107/4885L3MBTL1 3377/4885MAPK1 3518/4885

“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.