SCHEMBL6009897

SCHEMBL6009897

O=S(=O)(O)CCCNCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.53
SLC2A1 P11166 1/20 0.45
CHRM2 P08172 2/20 0.44
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
NAMPT P43490 2/20 0.42
AVPR1B P47901 1/20 0.41
HTR2C P28335 3/20 0.40
PPARD Q03181 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 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
SCHEMBL6009391 0.81 SCN8A (0.49) SCN8ACHRM2CA12CA1CA2
SCHEMBL4656040 0.81 SCN8A (0.59) SCN8ACHRM2EPHX2NR1H4SLC6A5
SCHEMBL6009935 0.79 CHRM2 (0.66) SCN8ACHRM2CA12CA1CA2
SCHEMBL29306669 0.79 L3MBTL1 (0.55) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL10875607 0.78 SCN8A (0.59) SCN8ACHRM2EPHX2NR1H4SLC6A5
SCHEMBL9903315 0.77 SCN8A (0.58) SCN8ACHRM2EPHX2NR1H4CA12
SCHEMBL14048125 0.77 SCN8A (0.61) SCN8ACHRM2EPHX2NR1H4
SCHEMBL8348550 0.77 SCN8A (0.55) SCN8AEPHX2NR1H4HTR2C
SCHEMBL355305 0.76 CHRM2 (0.66) SLC2A1CHRM2CA12CA1CA2
SCHEMBL27941504 0.76 CHRM2 (0.66) CHRM2CA12CA1CA2

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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR SCN8A 1893/4885SLC2A1 1363/4885CHRM2 779/4885

“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.