SCHEMBL181393

SCHEMBL181393

O=C(CCc1ccc(CNC2(C(=O)OC3CCCC3)CCCC2)cc1)NO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.41
HDAC2 Q92769 5/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
TPSAB1 Q15661 5/20 0.37
TPSD1 Q9BZJ3 5/20 0.37
TPSG1 Q9NRR2 5/20 0.37
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PLG P00747 1/20 0.35

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
SCHEMBL182029 0.80 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6CTSB
SCHEMBL7898196 0.80 HDAC3 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9895471 0.80 HDAC3 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9895603 0.79 HDAC3 (0.56) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7897997 0.79 HDAC3 (0.56) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL28787337 0.78 HDAC1 (0.50) HDAC1HDAC2HDAC8HDAC6TPSAB1
SCHEMBL9895152 0.78 HDAC3 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7896020 0.78 HDAC3 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7897082 0.77 NR1H4 (0.43) HDAC1HDAC8HDAC6TPSAB1TPSD1
SCHEMBL181804 0.76 HDAC3 (0.55) HDAC1HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US claimed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US claimed
EP-2401257-A1 ENZYME INHIBITORS Chroma Therapeutics Ltd. (GB) 2012-01-04 EP claimed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 WO claimed
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-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 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-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 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
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 WO 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 (6 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 HDAC1 1/4885HDAC2 6/4885HDAC8 13/4885
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC1 2824/4885HDAC2 3371/4885HDAC8 2282/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 HDAC1 2/4885HDAC2 4/4885HDAC8 11/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC1 2824/4885HDAC2 3371/4885HDAC8 2282/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 HDAC1 2/4885HDAC2 9/4885HDAC8 10/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC1 2824/4885HDAC2 3371/4885HDAC8 2282/4885

“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.