SCHEMBL1329147

SCHEMBL1329147

CC(C)(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.56
CTSK P43235 13/20 0.56
CTSB P07858 6/20 0.53
CTSL P07711 5/20 0.53
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1329145 1.00 CTSS (0.56) CTSSCTSKCTSBCTSLMEN1
SCHEMBL29361478 0.92 CTSS (0.57) CTSSCTSKCTSBCTSLMEN1
SCHEMBL24648943 0.87 CTSS (0.51) CTSSCTSKCTSBCTSLMEN1
SCHEMBL14102904 0.86 CTSS (0.62) CTSSCTSKCTSBCTSLMEN1
SCHEMBL7759155 0.85 CTSS (0.64) CTSSCTSKCTSBCTSL
SCHEMBL12127703 0.85 CTSS (0.47) CTSSCTSKCTSBCTSLMEN1
SCHEMBL14485901 0.85 CTSS (0.74) CTSSCTSKCTSBCTSL
SCHEMBL2540154 0.84 CTSK (0.48) CTSSCTSKCTSBCTSLMEN1
SCHEMBL15167046 0.84 CTSK (0.48) CTSSCTSKCTSBCTSLMEN1
SCHEMBL29360411 0.83 CTSS (0.54) CTSSCTSKCTSBCTSLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11400062-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2022-08-02 US disclosed
US-11179355-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof 3I, LP 2020-08-13 US disclosed
EP-2349241-B1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-06-19 EP disclosed
EP-2560486-B1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS INC (US) 2018-11-21 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-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-9534014-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2017-01-03 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-20110281886-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids 3I, LP 2011-11-17 US disclosed
WO-2011133348-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133149-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133151-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133347-A1 COMPOSITIONS COMPRISING TRYPSIN-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 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-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
EP-2349241-A1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS Pharmacofore, Inc. (US) 2011-08-03 EP disclosed
WO-2010045599-A1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS PHARMACOFORE, INC. (US) 2010-04-22 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 (9 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-11179355-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof ACHE, COMT, CES2 CTSS 166/4885CTSK 302/4885CTSB 169/4885
US-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof ACHE, CYP2C18, CYP2C9 CTSS 89/4885CTSK 102/4885CTSB 157/4885
US-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof COMT, OPRM1, DNPEP CTSS 66/4885CTSK 169/4885CTSB 88/4885
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PEPD, TMPRSS15, ADAM17 CTSS 38/4885CTSK 124/4885CTSB 63/4885
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF ACHE, OPRM1, DNPEP CTSS 63/4885CTSK 133/4885CTSB 79/4885
US-20110281886-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids COMT, OPRM1, OPRK1 CTSS 90/4885CTSK 197/4885CTSB 117/4885
US-11400062-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof ACHE, COMT, CES2 CTSS 166/4885CTSK 302/4885CTSB 169/4885
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof ACHE, CYP2C18, CYP2C9 CTSS 89/4885CTSK 102/4885CTSB 157/4885
US-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 CTSS 166/4885CTSK 302/4885CTSB 169/4885

“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.