SCHEMBL2784584

SCHEMBL2784584

C=C(C(N)=O)[C@H](N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31

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
SCHEMBL2784588 1.00 SLC7A5 (0.38) SLC7A5TDP1GRIK1GRIK2GRM1
SCHEMBL5293647 0.80 GRIK1 (0.42) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL4632171 0.80 GRIK1 (0.42) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL18277715 0.80 GRIK1 (0.42) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL9156122 0.74 TDP1 (0.45) SLC7A5TDP1GRIK1GRIK2GRM1
SCHEMBL7997976 0.73
SCHEMBL3417424 0.72 TDP1 (0.36) SLC7A5TDP1GRIK1GRIK2GRM1
SCHEMBL7039023 0.72 GRIK1 (0.37) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL209221 0.71
SCHEMBL88708 0.71

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7778779-B2 Method of identifying a chemical entity which is a hydroxylase modulator ISIS INNOVATION LIMITED (GB) 2010-08-17 US disclosed
EP-2156830-A1 Modulators of asparaginyl hydoxylase activity of FIH ISIS INNOVATION LIMITED (GB) 2010-02-24 EP disclosed
EP-1554394-B1 Screening methods using a structural model of FIH ISIS INNOVATION (GB) 2009-12-16 EP disclosed
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO disclosed
US-20070048728-A1 Hydroxylases and modulators thereof ISIS INNOVATION LIMITED (GB) 2007-03-01 US disclosed
EP-1554394-A2 ASPARAGINYL HYDROXYLASES AND MODULATORS THEREOF ISIS INNOVATION LIMITED (GB) 2005-07-20 EP disclosed
WO-2004035812-A2 ASPARAGINYL HYDROXYLASES AND MODULATORS THEREOF ISIS INNOVATION LIMITED (GB) 2004-04-29 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 (2 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-20070048728-A1 Hydroxylases and modulators thereof EGLN3, HIF1AN, EGLN2 SLC7A5 3185/4885TDP1 3071/4885GRIK1 4249/4885
US-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 SLC7A5 3712/4885TDP1 3112/4885GRIK1 4162/4885

“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.