SCHEMBL6008679

SCHEMBL6008679

O=S(=O)(O)CCCNC1(C(O)c2cccc(C(F)(F)F)c2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 2/20 0.40
PNMT P11086 1/20 0.39
CES2 O00748 1/20 0.37
KCNQ2 O43526 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
ACP3 P15309 1/20 0.34
SLC6A3 Q01959 1/20 0.34
EPHX1 P07099 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 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
SCHEMBL6009455 0.99 SLC6A2 (0.42) SLC6A2SLC6A4PNMTCES2KCNQ2
SCHEMBL10232157 0.84 FBP1 (0.34) KCNQ2KMT2AACP3
SCHEMBL354580 0.81 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL6008692 0.78 MEN1 (0.33) SLC6A2MEN1KMT2A
SCHEMBL6008648 0.78 HSD11B1 (0.32) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL27686863 0.76 GRIN2D (0.32)
SCHEMBL354787 0.75 KMT2A (0.33) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL10278412 0.74 EEF2K (0.33) SLC6A4SLC6A3
SCHEMBL6009845 0.74 ADRA2C (0.43) SLC6A2SLC6A4PNMTCES2MEN1
SCHEMBL10278093 0.74 SLC6A3 (0.34) SLC6A2SLC6A4SLC6A3

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 SLC6A2 710/4885SLC6A4 1538/4885PNMT 269/4885

“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.