SCHEMBL6008774

SCHEMBL6008774

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.45
SLC2A1 P11166 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
P2RX7 Q99572 1/20 0.40
CHRM2 P08172 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
DAO P14920 1/20 0.37
NAMPT P43490 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
PTGER4 P35408 1/20 0.36
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL5504080 0.81 HDAC3 (0.50) SLC2A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6009391 0.79 SCN8A (0.49) HDAC3HDAC1HDAC2HDAC8CHRM2
SCHEMBL5506256 0.78 HDAC3 (0.63) SLC2A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5510239 0.78 CNR2 (0.45) SLC2A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL31502480 0.78 KIF11 (0.51) KIF11P2RX7PPARGPPARDPPARA
SCHEMBL6009935 0.77 CHRM2 (0.66) HDAC3HDAC1HDAC2HDAC8CHRM2
SCHEMBL5504090 0.75 MPO (0.56) CHRM2
SCHEMBL916840 0.75 ADRB2 (0.47) SLC2A1
SCHEMBL6009897 0.73 SCN8A (0.53) SLC2A1CHRM2PPARDNAMPT
SCHEMBL21171984 0.72 NPY5R (0.64) SLC2A1HDAC3HDAC1HDAC2HDAC8

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 KIF11 3833/4885SLC2A1 1363/4885HDAC3 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.