SCHEMBL1100322

SCHEMBL1100322

CC(=O)OCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.51
PPARG P37231 6/20 0.49
CTSS P25774 6/20 0.47
CTSK P43235 6/20 0.47
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
IDO1 P14902 1/20 0.44
ACE P12821 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
PPARD Q03181 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1088542 1.00 PPARA (0.51) PPARAPPARGCTSSCTSKCTSL
SCHEMBL1688831 0.88 CTSK (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL16020434 0.88 CYP1A2 (0.44) PPARAPPARGCTSSCTSKCTSL
SCHEMBL4835696 0.87 PPARA (0.49) PPARAPPARGCTSSCTSKCTSL
SCHEMBL13044371 0.87 CTSK (0.44) PPARACTSSCTSKCTSLCTSB
SCHEMBL31385382 0.87 CTSK (0.44) PPARACTSSCTSKCTSLCTSB
SCHEMBL29401710 0.85 HDAC4 (0.47) PPARAPPARGCTSSCTSKIDO1
SCHEMBL22468776 0.85 PPARA (0.50) PPARAPPARGCTSSCTSKCTSL
SCHEMBL22468774 0.85 PPARA (0.50) PPARAPPARGCTSSCTSKCTSL
SCHEMBL263105 0.84 PPARA (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709288-A Phosphamide derivative and preparation method and application thereof 四川海思科制药有限公司 2018-02-16 CN disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
US-8153683-B2 Methods of treatment using a prodrug of an excitatory amino acid ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
US-20110207672-A1 METHODS OF TREATMENT USING A PRODRUG OF AN EXCITATORY AMINO ACID ELI LILLY AND COMPANY (US) 2011-08-25 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 (1 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-20110207672-A1 METHODS OF TREATMENT USING A PRODRUG OF AN EXCITATORY AMINO ACID SLC1A2, SLC1A1, SLC1A3 PPARA 2110/4885PPARG 1620/4885CTSS 850/4885

“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.