SCHEMBL6078029

SCHEMBL6078029

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.62
SLC1A1 P43005 7/20 0.58
SLC1A2 P43004 7/20 0.56
SLC1A3 P43003 6/20 0.56
GRIK1 P39086 9/20 0.47
GRIK2 Q13002 7/20 0.47
GRIA2 P42262 2/20 0.44
GRIA4 P48058 2/20 0.44
GRIK3 Q13003 2/20 0.44
GRIK5 Q16478 2/20 0.44
GRIA1 P42261 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
BHMT Q93088 1/20 0.42
BHMT2 Q9H2M3 1/20 0.42

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
SCHEMBL14862449 1.00 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL25660992 1.00 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL1234861 1.00 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL1234860 1.00 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL4726047 1.00 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL8015345 0.81 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL20012329 0.81 SLC7A5 (0.77) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL2295882 0.81 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL8634662 0.81 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL9282867 0.81 SLC7A5 (0.77) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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 (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-20040073025-A1 Thrombin inhibitors F2, F11, F10 SLC7A5 4181/4885SLC1A1 4642/4885SLC1A2 4848/4885

“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.