SCHEMBL3391198

SCHEMBL3391198

CCOC(=O)c1ccc(Cl)cc1SC1CCC2CN(C(=O)OC)C(C(=O)O)CC2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.46
GRIA2 P42262 4/20 0.46
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
CTSS P25774 3/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 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
SCHEMBL3392544 0.93 GRIK1 (0.46) GRIK1GRIA2TP53MAPTLMNA
SCHEMBL3391713 0.91 GRIK1 (0.35) GRIK1GRIA2TP53MAPTCTSS
SCHEMBL3394385 0.78 GRIK1 (0.37) GRIK1GRIA2KDM4E
SCHEMBL5948536 0.78 GRIK1 (0.75) GRIK1GRIA2
Hydrochloric Acid SCHEMBL3391425 0.77 GRIK1 (0.76) GRIK1GRIA2
SCHEMBL3302444 0.76 GRIK1 (0.40) GRIK1GRIA2TP53MAPTLMNA
SCHEMBL3391505 0.76 GRIK1 (0.45) GRIK1GRIA2TP53LMNACTSS
SCHEMBL13390447 0.74 GRIK1 (0.64) GRIK1GRIA2
SCHEMBL3388752 0.74 GRIK1 (0.45) GRIK1GRIA2TP53LMNACTSS
SCHEMBL3302737 0.74 ALDH1A1 (0.33) GRIK1GRIA2TP53MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166003-A1 Excitatory amino acid receptor antagonists Eli Lilly & Company (US) 2010-03-24 EP disclosed
US-20060100237-A1 Excitatory amino acid receptor antagonists ARNOLD MACKLIN B 2006-05-11 US disclosed
US-20040138254-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1368032-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-03-27 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-20040138254-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 GRIK1 8/4885GRIA2 14/4885TP53 4769/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 GRIK1 8/4885GRIA2 14/4885TP53 4769/4885

“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.