SCHEMBL2265481

SCHEMBL2265481

CC(C)(CC(N)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
GRIK1 P39086 7/20 0.42
PTGS1 P23219 2/20 0.42
SLC7A11 Q9UPY5 1/20 0.42
SLC1A2 P43004 7/20 0.40
SLC1A3 P43003 6/20 0.40
SLC1A1 P43005 6/20 0.40
GRIK2 Q13002 5/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GSR P00390 1/20 0.39
CYP1A2 P05177 1/20 0.39
GRM5 P41594 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39

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
SCHEMBL2265477 1.00 SLC7A5 (0.44) SLC7A5GRIK1PTGS1SLC7A11SLC1A2
SCHEMBL9087108 0.82 SLC7A5 (0.44) SLC7A5GRIK1SLC1A2SLC1A3SLC1A1
SCHEMBL197117 0.80 SLC7A5 (0.48) SLC7A5GRIK1PTGS1SLC7A11SLC1A2
SCHEMBL197139 0.80 SLC7A5 (0.48) SLC7A5GRIK1PTGS1SLC7A11SLC1A2
SCHEMBL196695 0.80 SLC7A5 (0.48) SLC7A5GRIK1PTGS1SLC7A11SLC1A2
SCHEMBL127215 0.79 GRIK1 (0.46) SLC7A5GRIK1PTGS1SLC7A11SLC1A2
SCHEMBL1332891 0.79 GRIK1 (0.46) SLC7A5GRIK1PTGS1SLC7A11SLC1A2
SCHEMBL29179644 0.79 GRIK1 (0.46) SLC7A5GRIK1PTGS1SLC7A11SLC1A2
SCHEMBL2424261 0.78 SLC7A5 (0.46) SLC7A5GRIK1PTGS1SLC7A11SLC1A2
Hydrochloric Acid SCHEMBL21059082 0.78 SLC7A5 (0.46) SLC7A5GRIK1PTGS1SLC7A11SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 US disclosed
EP-1537089-A4 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-16 EP disclosed
US-20080021050-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2008-01-24 US disclosed
US-7211580-B2 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2007-05-01 US disclosed
EP-1537089-A2 COMPOUNDS COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2005-06-08 EP disclosed
US-20040142949-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-07-22 US disclosed
WO-2004009036-A2 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-01-29 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 (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-20080021050-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 SLC7A5 4191/4885GRIK1 1527/4885PTGS1 2189/4885
US-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 SLC7A5 3081/4885GRIK1 4494/4885PTGS1 3021/4885
US-20040142949-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 SLC7A5 4191/4885GRIK1 1527/4885PTGS1 2189/4885

“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.