SCHEMBL5510239

SCHEMBL5510239

O=S(=O)(O)CCCNCc1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
CHRM2 P08172 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
SLC2A1 P11166 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL5506256 0.83 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL27941504 0.82 CHRM2 (0.66) CHRM2SMN1; SMN2MEN1KMT2A
SCHEMBL5504080 0.81 HDAC3 (0.50) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL6009935 0.79 CHRM2 (0.66) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9903437 0.79 SIGMAR1 (0.53) CNR2CHRM2HDAC3HDAC1HDAC2
SCHEMBL6008774 0.78 KIF11 (0.45) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL5504090 0.77 MPO (0.56) CHRM2CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL916840 0.77 ADRB2 (0.47) CYP1A2SLC2A1ALOX15
SCHEMBL21171984 0.74 NPY5R (0.64) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL16472022 0.74 SLC2A1 (0.44) CHRM2HDAC3HDAC1HDAC2HDAC8

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 CNR2 2625/4885CHRM2 779/4885HDAC3 3990/4885

“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.