SCHEMBL5506495

SCHEMBL5506495

O=S(=O)(O)CC(F)(F)CNC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
BCHE P06276 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ACHE P22303 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR6 P50406 1/20 0.47
PDPK1 O15530 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
SLC18A3 Q16572 1/20 0.39
ALDH1A1 P00352 3/20 0.39
EPHX2 P34913 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5508403 0.80 GRIN2B (0.48) MAOAMAOBCA1CA2MTNR1A
SCHEMBL5502101 0.80 MAOA (0.47) MAOAMAOBCA1CA2BCHE
SCHEMBL5500950 0.77 MAOA (0.56) MAOAMAOBCA1CA2BCHE
SCHEMBL10230666 0.75 MAOA (0.60) MAOAMAOBCA1CA2BCHE
SCHEMBL917662 0.75 MAOA (0.60) MAOAMAOBCA1CA2BCHE
SCHEMBL918896 0.75 MAOA (0.60) MAOAMAOBCA1CA2BCHE
SCHEMBL5503266 0.74 MAOA (0.56) MAOAMAOBCA1CA2BCHE
SCHEMBL13900491 0.73 MAOA (0.62) MAOAMAOBCA1CA2BCHE
Rasagiline SCHEMBL158439 0.72 MAOA (1.00) MAOAMAOBCA1CA2BCHE
Rasagiline SCHEMBL2322409 0.72 MAOA (0.95) MAOAMAOBCA1CA2BCHE

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
EP-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 US disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR MAOA 63/4885MAOB 65/4885CA1 291/4885

“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.