SCHEMBL1088544

SCHEMBL1088544

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CYP2D6 P10635 1/20 0.42
CTSK P43235 12/20 0.40
CTSS P25774 9/20 0.40
ALOX15 P16050 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 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
SCHEMBL27567084 0.83 CTSK (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL27668563 0.83 CA1 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL27593364 0.83 CA1 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL6206893 0.83 CA1 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL27567001 0.83 CTSK (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL6684772 0.77 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL9690240 0.76 CA1 (0.40) CA1CA2CA7CYP2D6CTSK
SCHEMBL14984731 0.76 CTSK (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL168105 0.76 CTSK (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL28407843 0.75 CYP2D6 (0.50) CA1CA2CA7CYP2D6CTSK

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-20120172422-A1 Methods of Treatment Using a Prodrug of an Excitatory Amino Acid ELI LILLY AND COMPANY (US) 2012-07-05 US 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
US-7964632-B2 Methods of treatment using a prodrug of an excitatory amino acid ELI LILLY AND COMPANY (US) 2011-06-21 US disclosed
US-20100113579-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2010-05-06 US disclosed
US-7671082-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2010-03-02 US disclosed
US-20080182889-A1 PRODRUGS OF EXCITATORY AMINO ACIDS MOHER ERIC DAVID 2008-07-31 US disclosed
US-7371872-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2008-05-13 US disclosed
EP-1897550-A2 Prodrugs of Excitatory Amino Acids Eli Lilly & Company (US) 2008-03-12 EP disclosed
US-20050222231-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2005-10-06 US disclosed
EP-1517915-A2 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
WO-2003104217-A2 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-12-18 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 (5 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-20120172422-A1 Methods of Treatment Using a Prodrug of an Excitatory Amino Acid SLC1A2, SLC1A1, SLC1A3 CA1 206/4885CA2 1068/4885CA7 2409/4885
US-20100113579-A1 PRODRUGS OF EXCITATORY AMINO ACIDS SLC1A2, SLC1A1, SLC1A3 CA1 212/4885CA2 1274/4885CA7 3165/4885
US-20110207672-A1 METHODS OF TREATMENT USING A PRODRUG OF AN EXCITATORY AMINO ACID SLC1A2, SLC1A1, SLC1A3 CA1 206/4885CA2 1068/4885CA7 2409/4885
US-20050222231-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 CA1 212/4885CA2 1274/4885CA7 3165/4885
US-20080182889-A1 PRODRUGS OF EXCITATORY AMINO ACIDS SLC1A2, SLC1A1, SLC1A3 CA1 212/4885CA2 1274/4885CA7 3165/4885

“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.