SCHEMBL5504911

SCHEMBL5504911

O=S(O)CC(F)CNC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ANPEP P15144 2/20 0.41
ERAP2 Q6P179 2/20 0.41
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 4/20 0.34
LMNA P02545 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MEN1 O00255 3/20 0.33
GRIN2B Q13224 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL6009887 0.98 KDM4E (0.48) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL5504924 0.98 KDM4E (0.48) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL5504382 0.93 KDM4E (0.35) KDM4EANPEPERAP2GRIN2B
SCHEMBL5504983 0.77 ADH1B (0.36) ANPEPERAP2
SCHEMBL6009038 0.76 ADH1B (0.39) KMT2ACYP2D6
SCHEMBL18263370 0.73 KDM4E (0.57) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL5504116 0.73 ANPEP (0.33) ANPEPERAP2
SCHEMBL6009426 0.73 GRIN2B (0.53) KDM4EKMT2ALMNACYP1A2CYP2D6
SCHEMBL5506446 0.71 KDM4E (0.46) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL5503709 0.71 EPHX2 (0.36) SMN1; SMN2LMNADPP7

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 KDM4E 4725/4885ANPEP 382/4885ERAP2 994/4885

“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.