SCHEMBL5504082

SCHEMBL5504082

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.39
HPGD P15428 1/20 0.35
ADRB1 P08588 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 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
SCHEMBL5503686 0.89 CASR (0.48) CASRADRB1ADRB2
SCHEMBL5503668 0.78 CASR (0.39) CASRHPGDADRB1NPC1RAB9A
SCHEMBL6009956 0.74 HPGD (0.36) CASRHPGDADRB1NPC1RAB9A
SCHEMBL5503937 0.74 HPGD (0.36) CASRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5503326 0.72 ADRB2 (0.33) ADRB1ADRB2
SCHEMBL5500333 0.70 HPGD (0.35) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5504083 0.69 KEAP1 (0.36) ADRB1SMN1; SMN2ADRB2
SCHEMBL10889941 0.68 ADRB2 (0.57) CASRADRB1ADRB2
SCHEMBL5500953 0.68 CASR (0.46) CASRHPGDADRB1ADRB2
SCHEMBL14383074 0.66 CASR (0.80) CASRADRB1ADRB2

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 3333/4885HPGD 1617/4885ADRB1 630/4885

“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.