SCHEMBL10230718

SCHEMBL10230718

CC(NCCCS(=O)(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.41
CA14 Q9ULX7 3/20 0.41
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 3/20 0.33
CA7 P43166 2/20 0.33
XBP1 P17861 1/20 0.32
RECQL P46063 1/20 0.32
MAPK14 Q16539 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL354950 1.00 CA12 (0.41) CA12CA14NPSR1TDP1MAPT
SCHEMBL355003 0.83 CA14 (0.46) CA12CA14MAPTMEN1KMT2A
SCHEMBL352762 0.81 SMN1; SMN2 (0.35) CA12CA14GAACA1CA2
SCHEMBL7870412 0.80 TDP1 (0.46) CA12CA14NPSR1TDP1MAPT
SCHEMBL2259202 0.79 SMN1; SMN2 (0.39) CA12CA14NPSR1TDP1MAPT
SCHEMBL2259068 0.79 CA12 (0.37) CA12CA14NPSR1TDP1MAPT
SCHEMBL2259199 0.79 SMN1; SMN2 (0.39) CA12CA14NPSR1TDP1MAPT
SCHEMBL2259067 0.79 CA12 (0.37) CA12CA14NPSR1TDP1MAPT
SCHEMBL353711 0.76 APP (0.35)
SCHEMBL12226753 0.76 POLB (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 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-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CA12 1045/4885CA14 1254/4885NPSR1 2950/4885

“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.