SCHEMBL5319952

SCHEMBL5319952

CCC(CN)C(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.44
SLC1A3 P43003 3/20 0.40
SLC1A2 P43004 3/20 0.40
SLC1A1 P43005 3/20 0.40
LAP3 P28838 1/20 0.36
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
GABRR1 P24046 2/20 0.34
GRIK1 P39086 3/20 0.33
GRIK2 Q13002 2/20 0.33
GLO1 Q04760 1/20 0.33
GCLC P48506 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK5 Q16478 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32
GSR P00390 1/20 0.32

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
SCHEMBL755924 0.87 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL1168875 0.87 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL7420375 0.87 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL28319951 0.85 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL28319949 0.85 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL3673862 0.81 USP2 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL598942 0.81 USP2 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL587730 0.81 USP2 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL6739408 0.81 USP2 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL19981311 0.81 USP2 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102617364-B Hydroxymethyl diamine compound and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2014-04-23 CN disclosed
CN-102617364-A Hydroxymethyl diamine compound and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2012-08-01 CN 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

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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 SLC7A5 3712/4885SLC1A3 4472/4885SLC1A2 4787/4885

“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.