SCHEMBL1460133

SCHEMBL1460133

CC(C)(C)OC(=O)NC(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
THRB P10828 1/20 0.46
BCL2 P10415 2/20 0.45
MCL1 Q07820 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ACE P12821 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1067233 1.00 MMP13 (0.48) MMP13CA1CA2MMP1MMP2
SCHEMBL7525866 1.00 MMP13 (0.48) MMP13CA1CA2MMP1MMP2
SCHEMBL2239710 0.91 GSTP1 (0.48) MMP13CA1CA2MMP1MMP2
SCHEMBL2239712 0.91 GSTP1 (0.48) MMP13CA1CA2MMP1MMP2
SCHEMBL5147914 0.90 ALDH1A1 (0.55) MMP13CA1CA2MMP1MMP2
SCHEMBL1460172 0.90 MMP13 (0.46) MMP13CA1CA2MMP1MMP2
SCHEMBL18811796 0.90 THRB (0.46) MMP13CA1CA2MMP1MMP2
SCHEMBL1460171 0.89 CA1 (0.45) MMP13CA1CA2MMP1MMP2
SCHEMBL1460170 0.89 CA1 (0.45) MMP13CA1CA2MMP1MMP2
SCHEMBL28085110 0.85 MMP13 (0.52) MMP13CA1CA2MMP1MMP2

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
CN-111606970-B 1, 5-diazabicyclo [5,3,0] decarenone amino acid derivative and preparation method and application thereof 中国药科大学 2023-04-25 CN disclosed
CN-111606970-A 1, 5-diazabicyclo [5,3,0] deca-alkanone amino acid derivative and preparation method and application thereof 中国药科大学 2020-09-01 CN 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-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9493477-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof 3I, LP 2015-10-22 US disclosed
EP-2475429-B1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE KETONE-MODIFIED OPIOID PRODRUGS AND OPTIONAL INHIBITORS THEREOF SIGNATURE THERAPEUTICS INC (US) 2015-07-29 EP disclosed
US-9040032-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2015-05-26 US disclosed
US-20130210701-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210854-A1 Compositions Comprising Enzyme-Cleavable Prodrugs of Active Agents and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
EP-2560490-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF Signature Therapeutics, Inc. (US) 2013-02-27 EP disclosed
EP-2560489-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF Signature Therapeutics, Inc. (US) 2013-02-27 EP disclosed
US-20120230916-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof 3I, LP 2012-09-13 US disclosed
EP-2475429-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE KETONE-MODIFIED OPIOID PRODRUGS AND OPTIONAL INHIBITORS THEREOF Signature Therapeutics, Inc. (US) 2012-07-18 EP disclosed
WO-2011133149-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133150-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO 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
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 (8 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-20120230916-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof ACHE, CYP2C18, CYP2C9 MMP13 423/4885CA1 402/4885CA2 1300/4885
US-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof ACHE, CYP2C18, CYP2C9 MMP13 423/4885CA1 402/4885CA2 1300/4885
US-20130210701-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof ACHE, OPRM1, DNPEP MMP13 98/4885CA1 348/4885CA2 812/4885
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PEPD, TMPRSS15, ADAM17 MMP13 142/4885CA1 232/4885CA2 732/4885
US-20130210854-A1 Compositions Comprising Enzyme-Cleavable Prodrugs of Active Agents and Inhibitors Thereof PEPD, TMPRSS15, ADAM17 MMP13 142/4885CA1 232/4885CA2 732/4885
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF ACHE, OPRM1, DNPEP MMP13 98/4885CA1 348/4885CA2 812/4885
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof ACHE, OPRM1, DNPEP MMP13 98/4885CA1 348/4885CA2 812/4885
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof ACHE, CYP2C18, CYP2C9 MMP13 423/4885CA1 402/4885CA2 1300/4885

“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.