SCHEMBL4267130

SCHEMBL4267130

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.41
SLC1A3 P43003 8/20 0.36
SLC1A2 P43004 8/20 0.36
SLC1A1 P43005 8/20 0.36
CASR P41180 1/20 0.34
GRIK1 P39086 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK5 Q16478 1/20 0.32
P2RY10 O00398 2/20 0.32
GPR174 Q9BXC1 2/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 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
SCHEMBL5311913 0.83 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL13583919 0.80 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL13583918 0.80 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL6249367 0.78 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL28327923 0.74 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL28147764 0.74 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL3333900 0.74 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL3333899 0.74 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL13583338 0.73 ALDH1A1 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL2820728 0.73 ALDH1A1 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1CASR

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-20090053290-A1 TRANSDERMAL DRUG DELIVERY COMPOSITIONS AND TOPICAL COMPOSITIONS FOR APPLICATION ON THE SKIN NUVIANCE, INC. 2009-02-26 US disclosed
EP-0983372-A1 IMPROVED TRANSAMINASE BIOTRANSFORMATION PROCESS MONSANTO COMPANY (US) 2000-03-08 EP disclosed
WO-1998053088-A1 IMPROVED TRANSAMINASE BIOTRANSFORMATION PROCESS NSC TECHNOLOGIES L.L.C. (US) 1998-11-26 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-20090053290-A1 TRANSDERMAL DRUG DELIVERY COMPOSITIONS AND TOPICAL COMPOSITIONS FOR APPLICATION ON THE SKIN LRAT, LTA, COLGALT1 SLC7A5 3805/4885SLC1A3 4065/4885SLC1A2 3537/4885

“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.