SCHEMBL5504083

SCHEMBL5504083

Cc1ccc(C(NCC(F)CS(=O)O)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.36
NFE2L2 Q16236 6/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
STAT3 P40763 1/20 0.33
ACHE P22303 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GRIA4 P48058 1/20 0.31
ABCB1 P08183 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6009992 0.89 HTT (0.35) KDM4EADRB2ADRB1ADRB3ABCB1
SCHEMBL6008635 0.78 GRIA4 (0.40) KEAP1NFE2L2ADRB2ADRB1ADRB3
SCHEMBL5503942 0.74 KEAP1 (0.36) KEAP1NFE2L2STAT3ACHECNR1
SCHEMBL6009959 0.71 KEAP1 (0.36) KEAP1NFE2L2STAT3ACHECNR1
SCHEMBL6008742 0.68 LMNA (0.40) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL6008622 0.67 CA1 (0.39) KDM4EADRB2ADRB1ADRB3ALDH1A1
SCHEMBL17995187 0.64 KEAP1 (0.39) KEAP1NFE2L2ACHEALDH1A1LMNA
SCHEMBL6009060 0.64 KEAP1 (0.37) KEAP1NFE2L2MEN1KMT2ASTAT3
SCHEMBL13205257 0.63 KEAP1 (0.37) KEAP1NFE2L2STAT3ACHECNR1
SCHEMBL5821388 0.62 MAPT (0.44) KDM4EMEN1KMT2AABCB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 US disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO 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 KEAP1 1179/4885NFE2L2 2049/4885KDM4E 4725/4885

“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.