SCHEMBL6009956

SCHEMBL6009956

Cc1ccc(CC(C)(C)NCCC(F)(F)S(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASR P41180 9/20 0.34
ADRB1 P08588 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GHSR Q92847 1/20 0.32
DPP4 P27487 1/20 0.32
VNN1 O95497 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6009449 0.89 CASR (0.44) HPGDCASRADRB1GHSRDPP4
SCHEMBL5503937 0.78 HPGD (0.36) HPGDNPC1RAB9ASMN1; SMN2CASR
SCHEMBL5504082 0.74 CASR (0.39) HPGDNPC1RAB9ASMN1; SMN2CASR
SCHEMBL5504957 0.73
SCHEMBL5506849 0.69 GHSR (0.39) HPGDNPC1RAB9ASMN1; SMN2CASR
SCHEMBL354792 0.69 HPGD (0.38) HPGDNPC1RAB9ASMN1; SMN2CASR
SCHEMBL6009959 0.69 KEAP1 (0.36) SMN1; SMN2MAPTALDH1A1
SCHEMBL5503668 0.69 CASR (0.39) HPGDNPC1RAB9ASMN1; SMN2CASR
SCHEMBL6009423 0.67 DPP4 (0.44) HPGDSMN1; SMN2CASRADRB1L3MBTL1
SCHEMBL5500333 0.66 HPGD (0.35) HPGDNPC1RAB9ASMN1; SMN2GHSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 US 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 1617/4885NPC1 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.