SCHEMBL5503686

SCHEMBL5503686

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.48
DPP4 P27487 1/20 0.40
ADRB2 P07550 5/20 0.40
ADRB1 P08588 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ADRB3 P13945 3/20 0.36

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
SCHEMBL5504082 0.89 CASR (0.39) CASRADRB2ADRB1
SCHEMBL5500953 0.78 CASR (0.46) CASRDPP4ADRB2ADRB1KDM4E
SCHEMBL6009423 0.74 DPP4 (0.44) CASRDPP4ADRB2ADRB1KDM4E
SCHEMBL6009449 0.74 CASR (0.44) CASRDPP4ADRB2ADRB1KDM4E
SCHEMBL5503326 0.72 ADRB2 (0.33) ADRB2ADRB1ADRB3
SCHEMBL6009992 0.69 HTT (0.35) ADRB2ADRB1KDM4EADRB3
SCHEMBL10087170 0.68 CASR (0.44) CASRDPP4ADRB2ADRB1KDM4E
SCHEMBL5503668 0.68 CASR (0.39) CASRADRB2ADRB1ADRB3
SCHEMBL14383005 0.67 CASR (0.80) CASRADRB2ADRB1ADRB3
SCHEMBL5503681 0.67 MMP2 (0.30)

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 3333/4885DPP4 1442/4885ADRB2 867/4885

“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.