SCHEMBL3769847

SCHEMBL3769847

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 7/20 0.42
SLC1A3 P43003 6/20 0.42
SLC1A1 P43005 6/20 0.42
SLC7A5 Q01650 1/20 0.41
GRIK1 P39086 11/20 0.39
GRIK2 Q13002 9/20 0.39
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
GRIA4 P48058 2/20 0.38
GRIK3 Q13003 2/20 0.38
GRIK5 Q16478 2/20 0.38
KIF11 P52732 1/20 0.38
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GSR P00390 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA1 P42261 1/20 0.37

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
SCHEMBL935874 0.77 SLC1A2 (0.44) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL18775007 0.77 SLC1A2 (0.45) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL9587489 0.77 SLC1A2 (0.44) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL5295103 0.77 PTGS1 (0.46) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL12189727 0.76 SLC1A2 (0.43) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL7376089 0.76 SLC1A2 (0.43) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL18762462 0.76 SLC1A2 (0.43) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
Chloromethane SCHEMBL29259265 0.75 SLC7A5 (0.46) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL18788848 0.74 SLC1A2 (0.42) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL5696083 0.74 PTGS1 (0.44) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 US 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-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE CTSL, SERPINB1, CTSZ SLC1A2 3170/4885SLC1A3 2343/4885SLC1A1 1977/4885

“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.