SCHEMBL5503937

SCHEMBL5503937

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
CETP P11597 1/20 0.34
DPP4 P27487 1/20 0.34
GHSR Q92847 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
CASR P41180 3/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL6009423 0.89 DPP4 (0.44) HPGDDPP4GHSRSMN1; SMN2CASR
SCHEMBL5506849 0.78 GHSR (0.39) HPGDCETPDPP4GHSRRAB9A
SCHEMBL6009956 0.78 HPGD (0.36) HPGDDPP4GHSRRAB9ASMN1; SMN2
SCHEMBL5504082 0.74 CASR (0.39) HPGDRAB9ASMN1; SMN2NPC1CASR
SCHEMBL5503248 0.71
SCHEMBL5503942 0.69 KEAP1 (0.36) SMN1; SMN2ALDH1A1LMNA
SCHEMBL6009982 0.67 DPP4 (0.44) HPGDDPP4GHSRCASRALDH1A1
SCHEMBL6009449 0.67 CASR (0.44) HPGDDPP4GHSRCASRTDP1
SCHEMBL5500333 0.66 HPGD (0.35) HPGDGHSRRAB9ASMN1; SMN2NPC1
SCHEMBL3640956 0.64 ACACB (0.54) HPGDGHSRRAB9ASMN1; SMN2NPC1

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 HPGD 1617/4885CETP 42/4885DPP4 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.