SCHEMBL5079644

SCHEMBL5079644

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
GRIK1 P39086 10/20 0.42
GRIK2 Q13002 6/20 0.42
GRM1 Q13255 1/20 0.41
GRM2 Q14416 1/20 0.41
SLC1A3 P43003 6/20 0.40
SLC1A2 P43004 6/20 0.40
SLC1A1 P43005 5/20 0.40
GRIA4 P48058 3/20 0.40
GRIK3 Q13003 3/20 0.40
GRIK5 Q16478 3/20 0.40
GRIA2 P42262 2/20 0.39
GRIA1 P42261 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
SCHEMBL5079643 1.00 SLC7A5 (0.43) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL4412222 0.81 SLC1A1 (0.50) GRIK1GRIK2GRM1GRM2SLC1A3
SCHEMBL402417 0.79 GRIK1 (0.47) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL1512966 0.79 GRIK1 (0.47) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL10557340 0.79 ALDH1A1 (0.33)
SCHEMBL10545518 0.77 CTSC (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL359953 0.77 SLC1A1 (0.45) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL5082612 0.76 SLC7A5 (0.54) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL5082599 0.76 SLC7A5 (0.54) SLC7A5GRIK1GRIK2GRM1GRM2
SCHEMBL2807629 0.75 PTGS1 (0.45) SLC7A5GRIK1GRIK2GRM1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562564-A2 COMBINATION CANCER THERAPY WITH A GST-ACTIVATED ANTICANCER COMPOUND AND ANOTHER ANTICANCER THERAPY TELIK, INC. (US) 2005-08-17 EP claimed
US-20040138140-A1 Combination cancer therapy with a GST-activated anticancer compound and another anticancer therapy TELIK, INC. 2004-07-15 US claimed
WO-2004045593-A2 COMBINATION CANCER THERAPY WITH A GST-ACTIVATED ANTICANCER COMPOUND AND ANOTHER ANTICANCER THERAPY TELIK, INC. (US) 2004-06-03 WO claimed
US-20080159980-A1 Combination cancer therapy with a GST-activated anticancer compound and another anticancer therapy TELIK, INC. 2008-07-03 US disclosed
EP-1562564-A2 COMBINATION CANCER THERAPY WITH A GST-ACTIVATED ANTICANCER COMPOUND AND ANOTHER ANTICANCER THERAPY TELIK, INC. (US) 2005-08-17 EP disclosed
US-20040138140-A1 Combination cancer therapy with a GST-activated anticancer compound and another anticancer therapy TELIK, INC. 2004-07-15 US disclosed
WO-2004045593-A2 COMBINATION CANCER THERAPY WITH A GST-ACTIVATED ANTICANCER COMPOUND AND ANOTHER ANTICANCER THERAPY TELIK, INC. (US) 2004-06-03 WO disclosed
EP-0254735-B2 METHOD FOR PRODUCTION OF THERMALLY STABLE AND pH STABLE SUBTILISIN ANALOGS AMGEN INC (US) 1998-06-17 EP disclosed
US-5399283-A Asparagine in polypeptide sequence is replaced; detergents AMGEN INC. (US) 1995-03-21 US disclosed
EP-0254735-B1 THERMALLY STABLE AND PH STABLE SUBTILISIN ANALOGS AND METHOD FOR PRODUCTION THEREOF AMGEN INC. (US) 1991-06-19 EP disclosed
EP-0254735-A1 THERMALLY STABLE AND pH STABLE SUBTILISIN ANALOGS AND METHOD FOR PRODUCTION THEREOF. AMGEN (US) 1988-02-03 EP disclosed
EP-0254735-A4 THERMALLY STABLE AND pH STABLE SUBTILISIN ANALOGS AND METHOD FOR PRODUCTION THEREOF. AMGEN (US) 1988-01-07 EP disclosed
WO-1987004461-A1 THERMALLY STABLE AND pH STABLE SUBTILISIN ANALOGS AND METHOD FOR PRODUCTION THEREOF AMGEN (US) 1987-07-30 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-20080159980-A1 Combination cancer therapy with a GST-activated anticancer compound and another anticancer therapy GSTK1, GSTA2, GSTA1 SLC7A5 975/4885GRIK1 1363/4885GRIK2 1674/4885
US-20040138140-A1 Combination cancer therapy with a GST-activated anticancer compound and another anticancer therapy GSTK1, GSTA2, GSTA1 SLC7A5 933/4885GRIK1 1353/4885GRIK2 1648/4885

“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.