SCHEMBL6009871

SCHEMBL6009871

CC(CNCCCS(=O)(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GRIA4 P48058 2/20 0.42
EEF2K O00418 2/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HSD11B1 P28845 1/20 0.36
MMP7 P09237 3/20 0.36
MMP9 P14780 2/20 0.36
MMP3 P08254 2/20 0.36
MAPK1 P28482 1/20 0.36
MMP1 P03956 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
SCHEMBL5503364 0.85 CA2 (0.40) CA1CA2GRIA4ALDH1A1
SCHEMBL6009058 0.81 CA1 (0.40) CA1CA2EEF2KHSD11B1FPR2
SCHEMBL6009391 0.76 SCN8A (0.49) CA1CA2
SCHEMBL29881347 0.75 HSD11B1 (0.48) CA1CA2GRIA4EEF2KCYP3A4
SCHEMBL29881241 0.75 HSD11B1 (0.48) CA1CA2GRIA4EEF2KCYP3A4
SCHEMBL5503261 0.75 MEN1 (0.47) KDM4E
SCHEMBL352861 0.74 SIGMAR1 (0.46) CYP3A4CYP2C9CYP2C19TP53CYP1A2
SCHEMBL6009864 0.73 CA1 (0.39) CA1CA2EEF2KMMP1FPR2
SCHEMBL5332387 0.72 LMNA (0.39) CA2CYP2C9CYP2C19TP53CYP2D6
SCHEMBL354403 0.70 CA2 (0.36) CA2TP53ALDH1A1GAAMAPK1

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 CA1 291/4885CA2 1329/4885GRIA4 3357/4885

“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.