SCHEMBL13255331

SCHEMBL13255331

CCOC(=O)C(NCCCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.70
SLC22A1 O15245 1/20 0.46
MMP8 P22894 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIN1 Q13526 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14306758 0.82 SMN1; SMN2 (0.75) SMN1; SMN2SLC22A1MMP8MEN1KMT2A
SCHEMBL3005469 0.81 SMN1; SMN2 (0.73) SMN1; SMN2SLC22A1MMP8MEN1KMT2A
SCHEMBL10230720 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ACA1CA2
SCHEMBL14603052 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ACA1CA2
SCHEMBL355057 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ACA1CA2
SCHEMBL352624 0.80 MMP8 (0.47) SMN1; SMN2MMP8CA12CA2CA9
SCHEMBL352625 0.80 MMP8 (0.47) SMN1; SMN2MMP8CA12CA2CA9
SCHEMBL21275416 0.79 SMN1; SMN2 (0.84) SMN1; SMN2SLC22A1MMP8MEN1KMT2A
SCHEMBL25870547 0.79 SMN1; SMN2 (0.70) SMN1; SMN2SLC22A1MMP8MEN1KMT2A
SCHEMBL27574237 0.78 SMN1; SMN2 (0.68) SMN1; SMN2SLC22A1MMP8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 US disclosed
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 US disclosed
US-7598269-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-10-06 US disclosed
US-7598269-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-10-06 US disclosed
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-17 US disclosed
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-17 US disclosed
US-7244764-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-07-17 US disclosed
US-7244764-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-07-17 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-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases APP, PSEN1, PSEN2 SMN1; SMN2 50/4885SLC22A1 1361/4885MMP8 760/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 SMN1; SMN2 50/4885SLC22A1 1361/4885MMP8 760/4885

“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.