SCHEMBL972564

SCHEMBL972564

CC(Cc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.47
CTSS P25774 3/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
ACE P12821 1/20 0.45
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL969820 0.85 MMP2 (0.46)
SCHEMBL19376965 0.81 ITGB3 (0.43) CTSKCTSSJAK3BTK
SCHEMBL3730954 0.81 ITGB3 (0.43) CTSKCTSSJAK3BTK
SCHEMBL12947678 0.81 CTSK (0.54) CTSKCTSSCTSLCTSBACE
SCHEMBL16296285 0.80 ITGB3 (0.42) CTSKCTSSJAK3BTK
SCHEMBL19033478 0.79 CTSK (0.55) CTSKCTSSCTSLCTSBACE
Putrescine SCHEMBL28493581 0.79 ACE (0.69) CTSKCTSSCTSLCTSBACE
Lysine SCHEMBL29140134 0.79 ACE (0.60) CTSKCTSSCTSLCTSBACE
SCHEMBL11038198 0.79 ACE (0.60) CTSKCTSSCTSLCTSBACE
SCHEMBL3789929 0.79 CTSS (0.59) CTSKCTSSCTSLCTSBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2012-05-10 US disclosed
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2011-01-13 US disclosed
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2010-08-05 US disclosed
US-7723305-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-25 US disclosed
US-7718619-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-18 US disclosed
US-7713936-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-11 US disclosed
US-7700561-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-04-20 US disclosed
US-7687467-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-30 US disclosed
US-7687466-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-30 US disclosed
US-7678770-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-16 US disclosed
US-20090131333-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131334-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131332-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131335-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131322-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131325-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090124831-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-14 US disclosed
US-20090124696-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-14 US disclosed
US-20090124700-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-14 US disclosed
US-20070042955-A1 Abuse-resistant amphetamine prodrugs NEW RIVER PHARMACEUTICALS INC. (US) 2007-02-22 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 (13 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-20090131322-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20090131332-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20070042955-A1 Abuse-resistant amphetamine prodrugs COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20090124700-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20090124696-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20090131333-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20090131325-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20090124831-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20090131334-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20090131335-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSK 1897/4885CTSS 1737/4885CTSL 1445/4885

“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.