SCHEMBL10242761

SCHEMBL10242761

CC(C)(C)OC(=O)NC(CCCCNC(=N)NN=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CTSK P43235 9/20 0.44
▸ CTSS P25774 5/20 0.44
▸ CAPN1 P07384 1/20 0.41
▸ TGM2 P21980 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CXCR3 P49682 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38

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
SCHEMBL7974820 0.85 MEN1 (0.51) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL7700364 0.85 MEN1 (0.51) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL391537 0.84 MEN1 (0.65) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL3445777 0.84 MEN1 (0.65) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL10241524 0.84 MEN1 (0.65) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL12617031 0.84 MEN1 (0.54) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL21284233 0.84 MEN1 (0.50) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL31661151 0.84 MEN1 (0.54) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL19425490 0.84 MEN1 (0.54) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL27118454 0.84 MEN1 (0.50) MEN1GAAKMT2AALDH1A1TSHR

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-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-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-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-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
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 (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-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 2374/4885GAA 1005/4885KMT2A 906/4885
US-20090234018-A1 Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same SLC6A3, AADAT, SLC6A2 MEN1 1810/4885GAA 593/4885KMT2A 386/4885
US-20080139653-A1 Non-standard amino acid conjugates of amphetamine and processes for making and using the same SLC6A3, AADAT, SLC6A2 MEN1 1810/4885GAA 593/4885KMT2A 386/4885
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 MEN1 2264/4885GAA 895/4885KMT2A 1364/4885

“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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