SCHEMBL192185

SCHEMBL192185

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.48
CTSK P43235 4/20 0.46
CTSS P25774 3/20 0.46
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
KLK7 P49862 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4233928 1.00 CACNA1B (0.48) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL376117 1.00 CACNA1B (0.48) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL30089915 0.99 CACNA1B (0.48) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL6842296 0.99 CACNA1B (0.48) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL26895103 0.90 CACNA1B (0.53) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL29050985 0.89 CACNA1B (0.53) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL29050983 0.89 CACNA1B (0.53) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL14066376 0.88 CACNA1B (0.44) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL26296033 0.87 CACNA1B (0.49) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL12332835 0.87 CTSK (0.50) CACNA1BCTSKCTSSHDAC4HDAC1

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 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
EP-1877383-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2007129005-A1 AMINOACID DERIVATIVES OF THIAZOLES AS INHIBITORS OF PI3 KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2007129036-A1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2007129036-A1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117552-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885CTSK 723/4885CTSS 462/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885CTSK 723/4885CTSS 462/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 CACNA1B 3409/4885CTSK 736/4885CTSS 503/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885CTSK 723/4885CTSS 462/4885

“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.