SCHEMBL6008649

SCHEMBL6008649

CCC(NCCCS(=O)(=O)O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.51
KCNH2 Q12809 4/20 0.51
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
FAAH O00519 1/20 0.41
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SLC6A9 P48067 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL353673 0.85 EPHX2 (0.44) ALDH1A1LMNASMN1; SMN2
SCHEMBL353339 0.85 EPHX2 (0.44) ALDH1A1LMNASMN1; SMN2
SCHEMBL354323 0.84 RPS6KB1 (0.42) CYP2D6KCNH2MMP1MMP3MMP9
SCHEMBL6009898 0.82 HTT (0.43) CYP2D6MEN1KMT2AALDH1A1PKM
SCHEMBL6009893 0.82 HTT (0.43) CYP2D6MEN1KMT2AALDH1A1PKM
SCHEMBL6009922 0.82 HTT (0.43) CYP2D6MEN1KMT2AALDH1A1PKM
SCHEMBL354864 0.75 MTNR1A (0.44)
SCHEMBL353209 0.74 SIGMAR1 (0.47)
SCHEMBL5503364 0.74 CA2 (0.40) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL10278392 0.74 CYP2D6 (0.33) CYP2D6KCNH2MMP1MMP3MMP9

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 CYP2D6 2171/4885KCNH2 2375/4885MMP1 1446/4885

“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.