SCHEMBL5739632

SCHEMBL5739632

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
GRIK1 P39086 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GRIK2 Q13002 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC7 Q8WUI4 2/20 0.33
HDAC8 Q9BY41 2/20 0.33

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
SCHEMBL5740177 1.00 TP53 (0.39) TP53GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL2167519 0.85 TP53 (0.36) TP53GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL5738756 0.85 TP53 (0.36) TP53GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL4918402 0.84
SCHEMBL28492815 0.80 TP53 (0.43) TP53GRIK1SLC1A3SLC1A2SLC1A1
Ethylene SCHEMBL28133480 0.80 TP53 (0.43) TP53GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL4807123 0.76 TP53 (0.54) TP53SLC1A3SLC1A2SLC1A1FDPS
SCHEMBL28975468 0.75 TP53 (0.32) TP53PMP22
SCHEMBL475377 0.74 TP53 (0.63) TP53GRIK1SLC1A2SLC1A1GRIK2
SCHEMBL15855762 0.74 FDPS (0.43) HDAC1HDAC2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP claimed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US claimed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO claimed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP disclosed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 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-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 TP53 721/4885GRIK1 4470/4885SLC1A3 195/4885

“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.