SCHEMBL5500310

SCHEMBL5500310

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL5505947 0.79 SIGMAR1 (0.47) SIGMAR1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL6009865 0.76 KCNA5 (0.42) TSHR
SCHEMBL5506848 0.75 NR3C1 (0.41) CYP1A2CYP3A4CYP2D6
SCHEMBL5505984 0.74 SIGMAR1 (0.49) SIGMAR1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL916682 0.74 SIGMAR1 (0.65) SIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL18775653 0.73 SMN1; SMN2 (0.41) CYP1A2CYP3A4TSHRTAAR1
SCHEMBL15819038 0.73 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
Methamphetamine SCHEMBL28548051 0.72 SIGMAR1 (0.78) SIGMAR1NPC1RAB9ATAAR1
Levmetamfetamine SCHEMBL712604 0.72 SIGMAR1 (0.78) SIGMAR1NPC1RAB9ATAAR1
Methamphetamine SCHEMBL712603 0.72 SIGMAR1 (0.78) SIGMAR1NPC1RAB9ATAAR1

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.