SCHEMBL5505947

SCHEMBL5505947

CC(Cc1ccccc1)NCC(F)(F)CS(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
SLC18A2 Q05940 1/20 0.42

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
SCHEMBL5500310 0.79 SIGMAR1 (0.49) SIGMAR1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL6008739 0.73 SIGMAR1 (0.49) SIGMAR1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL15819038 0.72 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL27894265 0.68 SIGMAR1 (0.68) SIGMAR1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL3847752 0.68 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL29059547 0.68 SIGMAR1 (0.81) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8986800 0.67 NPC1 (0.62) SIGMAR1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL8986798 0.67 NPC1 (0.62) SIGMAR1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4462033 0.67 NPC1 (0.67) SIGMAR1NPC1RAB9ATAAR1SLC18A2
Methamphetamine SCHEMBL4424041 0.67 SIGMAR1 (0.70) SIGMAR1NPC1RAB9ACYP3A4TSHR

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 SIGMAR1 3705/4885NPC1 37/4885RAB9A 1518/4885

“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.