SCHEMBL5507249

SCHEMBL5507249

O=S(=O)(O)CC(F)(F)CNCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
EPHX1 P07099 4/20 0.38
HDAC6 Q9UBN7 7/20 0.36
MLYCD O95822 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
HDAC4 P56524 3/20 0.34

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
SCHEMBL5506880 0.98 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5502047 0.91 TDP1 (0.35)
SCHEMBL18775724 0.79 HPGD (0.34) EPHX1HDAC6MLYCDHPGDKMT2A
SCHEMBL5501035 0.78 PDK1 (0.37) EPHX1HPGDKMT2ACA12CA1
SCHEMBL5500497 0.78 PDK1 (0.37) EPHX1HPGDKMT2ACA12CA1
SCHEMBL21398687 0.77 HPGD (0.37) EPHX1HPGDKMT2AALDH1A1
SCHEMBL5505013 0.76 PDK1 (0.34) EPHX1HPGDCA12CA1KDM4E
SCHEMBL6009995 0.75 HDAC6 (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6009965 0.75 HDAC6 (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15114126 0.75 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7

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 ADH1B 1226/4885ADH1C 1640/4885ADH1A 1247/4885

“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.