SCHEMBL3774284

SCHEMBL3774284

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H](CCC(=O)OCc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
CCKBR P32239 1/20 0.40
PDE4B Q07343 1/20 0.39
HSD11B1 P28845 1/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CTSL P07711 1/20 0.36

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
SCHEMBL3774280 1.00 CACNA1B (0.43) CACNA1BL3MBTL1CCKBRPDE4BHSD11B1
SCHEMBL13007477 0.86 ALDH1A1 (0.42) L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL3780890 0.81 L3MBTL1 (0.34) CACNA1BL3MBTL1HSD11B1
SCHEMBL3780913 0.81 L3MBTL1 (0.34) CACNA1BL3MBTL1HSD11B1
SCHEMBL3805536 0.81 L3MBTL1 (0.34) CACNA1BL3MBTL1HSD11B1
SCHEMBL13525248 0.81 CACNA1B (0.41) CACNA1BL3MBTL1KLK7KLK5CTSL
SCHEMBL3572628 0.80 CACNA1B (0.59) CACNA1BCCKBRKLK7KLK5CTSL
SCHEMBL191613 0.80 CACNA1B (0.59) CACNA1BCCKBRKLK7KLK5CTSL
SCHEMBL1197947 0.80 TPSAB1 (0.43) L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL13397932 0.80 TPSAB1 (0.43) L3MBTL1TPSAB1TPSD1TPSG1

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 4 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-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-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 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 (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 CACNA1B 3409/4885L3MBTL1 3377/4885CCKBR 684/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 CACNA1B 3409/4885L3MBTL1 3377/4885CCKBR 684/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 CACNA1B 3409/4885L3MBTL1 3377/4885CCKBR 684/4885

“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.