SCHEMBL16063023

SCHEMBL16063023

CN(CCCCCCO)CCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ S1PR2 O95136 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ LSS P48449 2/20 0.33
▸ LMNA P02545 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ KDM4C Q9H3R0 4/20 0.30
▸ KDM5A P29375 3/20 0.30
▸ PHF8 Q9UPP1 2/20 0.30
▸ KDM4A O75164 1/20 0.30
▸ GGPS1 O95749 3/20 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
SCHEMBL16063018 0.98 APP (0.38) APPCHRM2LTA4HS1PR2S1PR1
SCHEMBL23016833 0.94 APP (0.38) APPCHRM2LTA4HS1PR2S1PR1
SCHEMBL17058738 0.94 APP (0.38) APPCHRM2LTA4HS1PR2S1PR1
SCHEMBL25199783 0.92 APP (0.39) APPCHRM2LTA4HLSSLMNA
SCHEMBL16063010 0.88 APP (0.39) APPCHRM2LTA4HLSSLMNA
SCHEMBL7246353 0.84 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL17453161 0.84 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL13155350 0.84 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL16311730 0.84 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL17817349 0.84 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5KDM4C

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
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 — — US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 — — US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 — — 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 (2 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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 APP 1/4885CHRM2 733/4885LTA4H 471/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 APP 1/4885CHRM2 733/4885LTA4H 471/4885

“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.

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