SCHEMBL5503668

SCHEMBL5503668

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.39
ADRB2 P07550 3/20 0.37
ADRB3 P13945 4/20 0.36
HPGD P15428 1/20 0.35
ADRB1 P08588 2/20 0.35
GHSR Q92847 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5500953 0.89 CASR (0.46) CASRADRB2ADRB3HPGDADRB1
SCHEMBL354792 0.79 HPGD (0.38) CASRADRB2HPGDADRB1GHSR
SCHEMBL5504082 0.78 CASR (0.39) CASRADRB2HPGDADRB1NPC1
SCHEMBL5506849 0.74 GHSR (0.39) CASRHPGDADRB1GHSRNPC1
SCHEMBL6008629 0.72 CASP7 (0.40) ADRB2ADRB3ADRB1SMN1; SMN2
SCHEMBL6010000 0.69 CASR (0.42) CASRADRB2HPGDADRB1GHSR
SCHEMBL6009956 0.69 HPGD (0.36) CASRHPGDADRB1GHSRNPC1
SCHEMBL6008635 0.69 GRIA4 (0.40) ADRB2ADRB3ADRB1SMN1; SMN2
SCHEMBL10232031 0.68 ESR1 (0.43) ADRB2ADRB1GHSR
SCHEMBL10889941 0.68 ADRB2 (0.57) CASRADRB2ADRB3ADRB1

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 CASR 3333/4885ADRB2 867/4885ADRB3 535/4885

“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.