SCHEMBL6009999

SCHEMBL6009999

CC(C)(Cc1ccccc1OC(F)(F)F)NCCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.39
ALPL P05186 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CASR P41180 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 4/20 0.34
SLC6A3 Q01959 4/20 0.34
PPARG P37231 2/20 0.34
EPHX2 P34913 3/20 0.33
NTRK1 P04629 2/20 0.33
SLC2A1 P11166 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2J2 P51589 2/20 0.33
CCR1 P32246 1/20 0.33
SLC6A2 P23975 1/20 0.33
GSTO1 P78417 1/20 0.33

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
SCHEMBL10278345 0.88 CA12 (0.44) CYP3A4
SCHEMBL10278379 0.81 ADRB2 (0.41) HDAC1
SCHEMBL10278447 0.81 LMNA (0.39) VNN1
SCHEMBL10231709 0.80 CHRM2 (0.47) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL10278411 0.80 ADRB2 (0.44)
SCHEMBL354390 0.80 CA12 (0.41) EPHX2
SCHEMBL10278302 0.79 ADRB2 (0.34) CASRCYP2C19CYP2C9
SCHEMBL10278448 0.79 CHRM2 (0.39) CASRSLC6A2
SCHEMBL10278371 0.79 RIPK1 (0.38) CASR
SCHEMBL10278357 0.75 CASR (0.46) CASRCYP3A4CYP2C19CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101124200-A Methods and fluorinated compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-13 CN disclosed
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 VNN1 1250/4885ALPL 485/4885HDAC3 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.