SCHEMBL20008636

SCHEMBL20008636

CCOC(=O)CN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(CC(=N)N)cc2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.58
KLK1 P06870 8/20 0.58
F2 P00734 7/20 0.58
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSP90AA1 P07900 2/20 0.46
HPGD P15428 1/20 0.46
TMPRSS2 O15393 2/20 0.42
SLC22A2 O15244 1/20 0.42
HPN P05981 1/20 0.42
PRSS2 P07478 1/20 0.42
CTSL P07711 1/20 0.42
CNR1 P21554 1/20 0.42
PRSS3 P35030 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRD1 P41143 1/20 0.42
HGFAC Q04756 1/20 0.42

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
SCHEMBL3233414 0.91 PRSS1 (0.69) PRSS1KLK1F2KDM4EMAPT
SCHEMBL7303571 0.91 PRSS1 (0.69) PRSS1KLK1F2KDM4EMAPT
SCHEMBL7623447 0.87 PRSS1 (0.57) PRSS1KLK1F2KDM4EMAPT
SCHEMBL7623450 0.87 PRSS1 (0.57) PRSS1KLK1F2KDM4EMAPT
Hydrochloric Acid SCHEMBL7643206 0.86 PRSS1 (0.56) PRSS1KLK1F2KDM4EMAPT
Hydrochloric Acid SCHEMBL7643202 0.86 PRSS1 (0.56) PRSS1KLK1F2KDM4EMAPT
SCHEMBL20008637 0.83 PRSS1 (0.84) PRSS1KLK1F2KDM4EMAPT
SCHEMBL7306272 0.82 PRSS1 (0.68) PRSS1KLK1F2KDM4EMAPT
SCHEMBL7306265 0.82 PRSS1 (0.68) PRSS1KLK1F2KDM4EMAPT
SCHEMBL3242306 0.79 PRSS1 (0.75) PRSS1KLK1F2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159441-A1 ENZYME-CLEAVABLE METHADONE PRODRUGS AND METHODS OF USE THEREOF 3I, LP 2023-05-25 US disclosed
US-11154549-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-03-26 US disclosed
US-10335406-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-07-02 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 US disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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-9499581-B2 Compositions comprising enzyme-cleavable oxycodone prodrug SIGNATURE THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-20130089504-A1 Compositions Comprising Enzyme-Cleavable Hydromorphone Prodrug SIGNATURE THERAPEUTICS, INC. (US) 2013-04-11 US disclosed
US-20130059914-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-03-07 US disclosed
US-20120295834-A1 Opioid Prodrugs with Heterocyclic Linkers 3I, LP 2012-11-22 US disclosed
US-20120232066-A1 COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS SIGNATURE THERAPEUTICS, INC. 2012-09-13 US disclosed
US-20120230916-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof 3I, LP 2012-09-13 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-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified 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-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US 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 (17 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-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885KLK1 3383/4885F2 3807/4885
US-20120230916-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof ACHE, CYP2C18, CYP2C9 PRSS1 156/4885KLK1 151/4885F2 1160/4885
US-20120295834-A1 Opioid Prodrugs with Heterocyclic Linkers OPRK1, OPRM1, PREP PRSS1 17/4885KLK1 550/4885F2 150/4885
US-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof ACHE, CYP2C18, CYP2C9 PRSS1 156/4885KLK1 151/4885F2 1160/4885
US-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof COMT, OPRM1, DNPEP PRSS1 84/4885KLK1 914/4885F2 1303/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885KLK1 3383/4885F2 3807/4885
US-20130089504-A1 Compositions Comprising Enzyme-Cleavable Hydromorphone Prodrug TMPRSS15, DNPEP, PGA5 PRSS1 15/4885KLK1 328/4885F2 843/4885
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PEPD, TMPRSS15, ADAM17 PRSS1 27/4885KLK1 919/4885F2 1313/4885
US-20230159441-A1 ENZYME-CLEAVABLE METHADONE PRODRUGS AND METHODS OF USE THEREOF CES2, ACHE, COMT PRSS1 63/4885KLK1 1123/4885F2 2861/4885
US-20120178773-A1 Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug OPRK1, CYP3A7, OPRD1 PRSS1 12/4885KLK1 269/4885F2 2591/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PRSS1 952/4885KLK1 3383/4885F2 3807/4885
US-20120232066-A1 COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS CYP2C19, CYP3A5, CYP3A4 PRSS1 124/4885KLK1 1574/4885F2 1376/4885
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF ACHE, OPRM1, DNPEP PRSS1 60/4885KLK1 714/4885F2 1483/4885
US-20130059914-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 PRSS1 96/4885KLK1 1659/4885F2 4549/4885
US-20120178772-A1 Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug OPRK1, KDM8, ADAM8 PRSS1 45/4885KLK1 243/4885F2 1193/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PRSS1 952/4885KLK1 3383/4885F2 3807/4885
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof ACHE, CYP2C18, CYP2C9 PRSS1 156/4885KLK1 151/4885F2 1160/4885

“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.