SCHEMBL5504080

SCHEMBL5504080

Cc1ccc(CNCCCS(=O)(=O)O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
SLC2A1 P11166 1/20 0.45
CHRM2 P08172 2/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN8A Q9UQD0 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 0.89 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL6008774 0.81 KIF11 (0.45) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL5510239 0.81 CNR2 (0.45) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL6009935 0.79 CHRM2 (0.66) HDAC3HDAC1HDAC2HDAC8CHRM2
SCHEMBL355305 0.79 CHRM2 (0.66) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL5506450 0.78 CHRM2 (0.42) HDAC3HDAC1HDAC2HDAC8CHRM2
SCHEMBL5504090 0.77 MPO (0.56) CHRM2CYP2D6SCN8A
SCHEMBL916840 0.77 ADRB2 (0.47) SLC2A1KCNH2
SCHEMBL918760 0.75 KDM4E (0.68) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL21171984 0.74 NPY5R (0.64) HDAC3HDAC1HDAC2HDAC8SLC2A1

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 HDAC3 3990/4885HDAC1 4260/4885HDAC2 4410/4885

“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.