SCHEMBL2543733

SCHEMBL2543733

CNCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.41
DGAT1 O75907 1/20 0.38
CA1 P00915 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CA12 O43570 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
CA7 P43166 2/20 0.35
PRMT3 O60678 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 2/20 0.31
CPB2 Q96IY4 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL8697011 0.88 CA14 (0.37) CA14CA1HDAC6CA12HDAC1
SCHEMBL12342815 0.84 CA14 (0.53) CA14DGAT1CA1HDAC6CA12
SCHEMBL30380554 0.83 CA14 (0.36) CA14DGAT1CA1HDAC6CA12
SCHEMBL30380292 0.83 CA14 (0.36) CA14DGAT1CA1HDAC6CA12
SCHEMBL30381232 0.83 CA14 (0.36) CA14DGAT1CA1HDAC6CA12
SCHEMBL30380396 0.83 CA14 (0.36) CA14DGAT1CA1HDAC6CA12
SCHEMBL30380680 0.83 CA14 (0.36) CA14DGAT1CA1HDAC6CA12
SCHEMBL24401196 0.82 CA14 (0.41) CA14DGAT1CA1HDAC6CA12
SCHEMBL381086 0.82 CA14 (0.41) CA14DGAT1CA1HDAC6CA12
SCHEMBL17160806 0.81 CA14 (0.40) CA14DGAT1CA1HDAC6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683394-B1 ACTIVE AGENT PRODRUGS WITH HETEROCYCLIC LINKERS SIGNATURE THERAPEUTICS INC (US) 2021-01-06 EP disclosed
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof 3I, LP 2017-05-04 US disclosed
US-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof 3I, LP 2017-05-04 US disclosed
US-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof 3I, LP 2017-05-04 US disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-20120178773-A1 Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug 3I, LP 2012-07-12 US disclosed
US-20120178772-A1 Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug 3I, LP 2012-07-12 US disclosed
US-20120178773-A1 Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug 3I, LP 2012-07-12 US disclosed
US-20120178772-A1 Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug 3I, LP 2012-07-12 US disclosed
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
WO-2011031350-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE KETONE-MODIFIED OPIOID PRODRUGS AND OPTIONAL INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-03-17 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-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof ACHE, CYP2C18, CYP2C9 CA14 506/4885DGAT1 2681/4885CA1 402/4885
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PEPD, TMPRSS15, ADAM17 CA14 482/4885DGAT1 3005/4885CA1 232/4885
US-20120178773-A1 Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug OPRK1, CYP3A7, OPRD1 CA14 988/4885DGAT1 3521/4885CA1 120/4885
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF ACHE, OPRM1, DNPEP CA14 816/4885DGAT1 2646/4885CA1 348/4885
US-20120178772-A1 Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug OPRK1, KDM8, ADAM8 CA14 674/4885DGAT1 2715/4885CA1 92/4885
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof ACHE, CYP2C18, CYP2C9 CA14 506/4885DGAT1 2681/4885CA1 402/4885

“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.