SCHEMBL5504913

SCHEMBL5504913

O=S(=O)(O)CC(F)CNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.38
HTT P42858 1/20 0.36
DPP4 P27487 3/20 0.36
EPHX2 P34913 11/20 0.36
DPP7 Q9UHL4 1/20 0.36
EPHX1 P07099 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12226594 0.82 HTT (0.46) ADRB3HTTDPP4EPHX2EPHX1
SCHEMBL10231087 0.82 HTT (0.46) ADRB3HTTDPP4EPHX2EPHX1
SCHEMBL21518364 0.81 ADRB3 (0.41) ADRB3HTTDPP4EPHX2EPHX1
SCHEMBL5504092 0.80 GRIN2D (0.49) DPP4EPHX2
SCHEMBL353997 0.78 ADRB3 (0.39) ADRB3HTTDPP4EPHX2KMT2A
SCHEMBL5505001 0.74 HTT (0.36) ADRB3HTTDPP4EPHX2DPP7
SCHEMBL21398769 0.72 EPHX2 (0.39) EPHX2KMT2A
SCHEMBL5507394 0.71 CA1 (0.37) DPP4EPHX2SMN1; SMN2
SCHEMBL18747628 0.70 DPP4 (0.45) DPP4EPHX2EPHX1
SCHEMBL13360905 0.68 TSHR (0.43) ADRB3HTTEPHX2

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 ADRB3 535/4885HTT 16/4885DPP4 1442/4885

“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.