SCHEMBL3603203

SCHEMBL3603203

CCOC(=O)CCS(=O)(O)=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
GAA P10253 3/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
KAT2B Q92831 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL3590180 0.88 CYP1A2 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11907952 0.83 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10643442 0.81 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9493128 0.80 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9913959 0.78 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL28738178 0.78 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1411856 0.77 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14900199 0.75 CYP1A2 (0.55) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10643440 0.75 CYP1A2 (0.45) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL22780 0.74 GAA (0.67) CYP1A2GAAMGAMSIMGAM2

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 4 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-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-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-22 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 (3 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 CYP1A2 2127/4885GAA 21/4885MGAM 197/4885
US-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases APP, IAPP, BACE1 CYP1A2 3545/4885GAA 181/4885MGAM 521/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 CYP1A2 2127/4885GAA 21/4885MGAM 197/4885

“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.