SCHEMBL10241806

SCHEMBL10241806

CC(Cc1ccccc1)NC(=O)C(CNC(=N)NN=O)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.53
▸ CTSK P43235 7/20 0.53
▸ CTSB P07858 2/20 0.53
▸ CTSL P07711 2/20 0.53
▸ ATM Q13315 1/20 0.50
▸ AKT1 P31749 1/20 0.48
▸ ACE P12821 1/20 0.47
▸ REN P00797 2/20 0.46
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ APP P05067 1/20 0.45
▸ PTPN1 P18031 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
SCHEMBL10242762 0.88 CTSK (0.49) CTSSCTSKCTSBCTSLATM
SCHEMBL10148211 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLATM
SCHEMBL22962299 0.83 CTSS (0.70) CTSSCTSKCTSBCTSLATM
SCHEMBL10135746 0.83 CTSS (0.70) CTSSCTSKCTSBCTSLATM
SCHEMBL10135530 0.81 CTSS (0.60) CTSSCTSKCTSBCTSLATM
SCHEMBL10195698 0.79 CTSS (0.58) CTSSCTSKCTSBCTSLATM
SCHEMBL10241808 0.79 CTSS (0.44) CTSSCTSKCTSBCTSLACE
SCHEMBL12203694 0.78 NPC1 (0.63) CTSSCTSKCTSBCTSLATM
SCHEMBL29401299 0.78 NPC1 (0.63) CTSSCTSKCTSBCTSLATM
SCHEMBL3676166 0.78 NPC1 (0.63) CTSSCTSKCTSBCTSLATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101661-B2 Polar hydrophilic prodrugs and non-standard amino acid conjugates of amphetamine and other stimulants and processes for making and using the same KEMPHARM, INC. (US) 2012-01-24 — — US disclosed
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2011-09-01 — — US disclosed
US-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2010-11-18 — — US disclosed
US-20100292336-A1 Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 — — US disclosed
US-7772222-B2 Polar hydrophilic prodrugs of amphetamine and other stimulants and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-10 — — US disclosed
US-20090239949-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2009-09-24 — — US disclosed
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-28 — — 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 (5 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-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 CTSS 2420/4885CTSK 3262/4885CTSB 2383/4885
US-20090239949-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 CTSS 2420/4885CTSK 3262/4885CTSB 2383/4885
US-20100292336-A1 Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC18A2, SLC6A19, SLC6A2 CTSS 2715/4885CTSK 3469/4885CTSB 2954/4885
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A3, SLC6A2, SLC6A15 CTSS 2888/4885CTSK 3373/4885CTSB 2836/4885
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 CTSS 2420/4885CTSK 3262/4885CTSB 2383/4885

“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.

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