SCHEMBL5500149

SCHEMBL5500149

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
TRPA1 O75762 1/20 0.39
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
CA2 P00918 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CA14 Q9ULX7 1/20 0.36
CPA1 P15085 1/20 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
SCHEMBL353114 0.83 ALPI (0.43) GABBR2GABBR1CA2CA9CA1
SCHEMBL29498021 0.70 LOXL2 (0.52) LOXL2TRPA1GABBR2GABBR1TAAR1
SCHEMBL29498042 0.70 LOXL2 (0.52) LOXL2TRPA1GABBR2GABBR1TAAR1
SCHEMBL16434845 0.69 LOXL2 (0.50) LOXL2TRPA1TAAR1IDO1AGXT
SCHEMBL6034394 0.68 GABBR2 (0.42) GABBR2GABBR1IDO1
SCHEMBL355063 0.68 CYP2C19 (0.47) GABBR2GABBR1CA2TAAR1CA9
SCHEMBL11280400 0.68 TRPA1 (0.61) LOXL2TRPA1TAAR1IDO1AGXT
SCHEMBL776965 0.68 LOXL2 (0.48) LOXL2CA2TAAR1CA1IDO1
Hydrochloric Acid SCHEMBL14764546 0.67 LOXL2 (0.48) LOXL2TRPA1TAAR1IDO1AGXT
SCHEMBL31344410 0.67 CYP1A2 (0.52) CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101124200-A Methods and fluorinated compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-13 CN disclosed
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 LOXL2 2084/4885TRPA1 3386/4885GABBR2 3421/4885

“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.