SCHEMBL10148211

SCHEMBL10148211

CC(Cc1ccccc1)NC(=O)C(CNC(=N)N[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.51
▸ CTSK P43235 7/20 0.51
▸ CTSB P07858 4/20 0.51
▸ CTSL P07711 3/20 0.51
▸ AKT1 P31749 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ REN P00797 2/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ PTPN1 P18031 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
SCHEMBL880800 0.88 CTSK (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10241806 0.85 CTSS (0.53) CTSSCTSKCTSBCTSLAKT1
SCHEMBL22962299 0.81 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10135746 0.81 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10192894 0.80 PPARA (0.44) CTSSCTSKCTSBCTSLACE
SCHEMBL10135530 0.79 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10195698 0.77 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1
SCHEMBL12203694 0.76 NPC1 (0.63) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3676162 0.76 NPC1 (0.63) CTSSCTSKCTSBCTSLAKT1
SCHEMBL29401299 0.76 NPC1 (0.63) CTSSCTSKCTSBCTSLAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433655-A2 Homoarginine-prodrugs of amphetamine Kempharm, Inc. (US) 2012-03-28 — — EP disclosed
EP-2433654-A2 Citrulline and homocitrulline prodrugs of amphetamines and processes for making and using the same Kempharm, Inc. (US) 2012-03-28 — — EP 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-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-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
WO-2008098151-A2 POLAR HYDROPHILIC PRODRUGS OF AMPHETAMINE AND OTHER STIMULANTS AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2008-08-14 — — 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 (4 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-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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