SCHEMBL192376

SCHEMBL192376

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.52
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CTSK P43235 6/20 0.44
CTSS P25774 5/20 0.44
KLK7 P49862 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
EPHX1 P07099 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 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
SCHEMBL376031 1.00 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192377 1.00 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL2063543 0.99 CACNA1B (0.51) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL2064232 0.99 CACNA1B (0.51) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL375989 0.92 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL193388 0.92 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL193387 0.92 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL12332835 0.88 CTSK (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192989 0.88 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192990 0.88 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK

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 74 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
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-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
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
WO-2007129020-A1 PYRIMIDINE DERIVATIVES USEFUL AS DHFR INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2007129020-A1 PYRIMIDINE DERIVATIVES USEFUL AS DHFR INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP 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
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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 (5 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 CACNA1B 3397/4885HDAC4 10/4885HDAC1 1/4885
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885HDAC4 2685/4885HDAC1 2532/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885HDAC4 2685/4885HDAC1 2532/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885HDAC4 2685/4885HDAC1 2532/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885HDAC4 2685/4885HDAC1 2532/4885

“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.