SCHEMBL10192894

SCHEMBL10192894

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.44
▸ PPARG P37231 9/20 0.44
▸ CTSS P25774 7/20 0.41
▸ CTSK P43235 7/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ ACE P12821 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL20542979 0.85 MEN1 (0.48) PPARAPPARGCTSSCTSKCTSL
SCHEMBL5712238 0.85 MEN1 (0.48) PPARAPPARGCTSSCTSKCTSL
SCHEMBL7424943 0.85 MEN1 (0.48) PPARAPPARGCTSSCTSKCTSL
SCHEMBL880799 0.84 ALDH1A1 (0.46) PPARAPPARGCTSSCTSKMEN1
SCHEMBL10254700 0.84 ALDH1A1 (0.46) PPARAPPARGCTSSCTSKMEN1
SCHEMBL10241808 0.80 CTSS (0.44) PPARAPPARGCTSSCTSKCTSL
SCHEMBL10148211 0.80 CTSS (0.51) PPARAPPARGCTSSCTSKCTSL
SCHEMBL10148209 0.79 PPARG (0.34) PPARAPPARGCTSSCTSKCTSL
SCHEMBL3544394 0.79 CTSS (0.54) PPARAPPARGCTSSCTSKCTSL
SCHEMBL5019146 0.79 CTSS (0.54) PPARAPPARGCTSSCTSKCTSL

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 6 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
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

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 PPARA 774/4885PPARG 873/4885CTSS 2420/4885
US-20090239949-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 PPARA 774/4885PPARG 873/4885CTSS 2420/4885
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 PPARA 1313/4885PPARG 1628/4885CTSS 2715/4885
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 PPARA 774/4885PPARG 873/4885CTSS 2420/4885

“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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