SCHEMBL5506176

SCHEMBL5506176

CC(C)(NCC(F)(F)CS(=O)(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
NR3C2 P08235 3/20 0.35
HSD11B1 P28845 1/20 0.35
PTPN1 P18031 1/20 0.35
HIF1A Q16665 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 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
SCHEMBL6009862 0.76 DPP4 (0.39) CYP2C19DPP4CYP2C9PTPN1HIF1A
SCHEMBL5504925 0.75 KDM4E (0.31) HIF1A
SCHEMBL28533116 0.73 TAAR1 (0.50) CYP2C19ALDH1A1CYP3A4NR3C2HSD11B1
SCHEMBL350936 0.72 CYP2C19 (0.39) CYP2C19DPP4ALDH1A1CA9NR3C2
SCHEMBL5500310 0.71 SIGMAR1 (0.49) CYP3A4CYP2D6
SCHEMBL13900473 0.70 KCNN4 (0.45) CYP2C19DPP4ALDH1A1CYP3A4HIF1A
SCHEMBL27363332 0.70 CYP2C19 (0.44) CYP2C19ALDH1A1NR3C2HSD11B1HIF1A
SCHEMBL6009982 0.70 DPP4 (0.44) DPP4ALDH1A1HPGDHSD11B1
SCHEMBL9815386 0.70 CYP2C19 (0.53) CYP2C19ALDH1A1CYP3A4NR3C2HSD11B1
SCHEMBL6009865 0.70 KCNA5 (0.42) ALDH1A1HPGD

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 CYP2C19 1055/4885DPP4 1442/4885ALDH1A1 1915/4885

“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.