SCHEMBL10190377

SCHEMBL10190377

CC(C)(C)OC(=O)NC(CCCNC(N)=O)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ KLK7 P49862 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ CTSK P43235 4/20 0.38
▸ CTSS P25774 1/20 0.38
▸ ITGB3 P05106 5/20 0.38
▸ ITGA2B P08514 5/20 0.38
▸ ATM Q13315 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ P2RY2 P41231 1/20 0.36

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
SCHEMBL12604209 0.92 MEN1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL30895563 0.92 MEN1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL10046236 0.92 MEN1 (0.38) MEN1KMT2AGAAKLK7KLK5
SCHEMBL29400712 0.89 TDP1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL9931542 0.89 TDP1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL3754005 0.89 TDP1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL16076756 0.86 MEN1 (0.49) MEN1KMT2AGAAKLK7KLK5
SCHEMBL18791214 0.85 ITGB3 (0.45) KLK7KLK5CTSKCTSSITGB3
SCHEMBL6473963 0.85 ITGB3 (0.45) KLK7KLK5CTSKCTSSITGB3
SCHEMBL8617019 0.85 CTSK (0.52) CTSKCTSS

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 12 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-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
EP-2101571-B1 ORNITHINE CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM INC (US) 2011-05-18 — — 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-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-7776917-B2 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US disclosed
US-7776917-B2 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US disclosed
US-20090234018-A1 Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same SHIRE LLC 2009-09-17 — — US disclosed
US-20090234018-A1 Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same SHIRE LLC 2009-09-17 — — US disclosed
WO-2008073918-A1 NON-STANDARD AMINO ACID CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2008-06-19 — — WO disclosed
US-20080139653-A1 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — US disclosed
US-20080139653-A1 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — 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 (3 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-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 MEN1 2374/4885KMT2A 906/4885GAA 1005/4885
US-20090234018-A1 Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same SLC6A3, AADAT, SLC6A2 MEN1 1810/4885KMT2A 386/4885GAA 593/4885
US-20080139653-A1 Non-standard amino acid conjugates of amphetamine and processes for making and using the same SLC6A3, AADAT, SLC6A2 MEN1 1810/4885KMT2A 386/4885GAA 593/4885

“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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