SCHEMBL6008663

SCHEMBL6008663

CC(NCCCS(=O)(=O)O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HTR6 P50406 1/20 0.39
MTOR P42345 1/20 0.39
BAZ1A Q9NRL2 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
KMT2A Q03164 1/20 0.37
CASR P41180 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6009882 0.86 CA2 (0.38) HTR6KMT2AKDM4EALDH1A1
SCHEMBL354323 0.84 RPS6KB1 (0.42) DUTHDAC4HDAC7HDAC5HTR6
SCHEMBL6009845 0.83 ADRA2C (0.43) HTR6GPR139KMT2ACASRALDH1A1
SCHEMBL6009898 0.83 HTT (0.43) HTR6KMT2AKDM4EALDH1A1
SCHEMBL6009922 0.83 HTT (0.43) HTR6KMT2AKDM4EALDH1A1
SCHEMBL6009893 0.83 HTT (0.43) HTR6KMT2AKDM4EALDH1A1
SCHEMBL14099965 0.83 CYP3A4 (0.53) SCN8AKMT2ACASRKDM4EALDH1A1
SCHEMBL10231050 0.83 CYP3A4 (0.53) SCN8AKMT2ACASRKDM4EALDH1A1
SCHEMBL10231054 0.83 CYP3A4 (0.53) SCN8AKMT2ACASRKDM4EALDH1A1
SCHEMBL353007 0.82 CASR (0.57) HTR6KMT2ACASR

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 DUT 1567/4885HDAC4 4412/4885HDAC7 3770/4885

“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.