SCHEMBL3590180

SCHEMBL3590180

CCOC(=O)CCCS(=O)(O)=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
DGKA P23743 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
SCHEMBL3603203 0.88 CYP1A2 (0.45) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL14900199 0.84 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL5014807 0.82 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL4022043 0.80 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL13762657 0.78 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL22356178 0.78 CYP1A2 (0.59) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL19402734 0.78 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL19402733 0.78 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL1519341 0.77 CYP1A2 (0.52) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL27531796 0.77 CYP1A2 (0.52) CYP1A2NR1I2PGRADORA3PTGS2

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 2127/4885NR1I2 3410/4885PGR 3849/4885
US-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases APP, IAPP, BACE1 CYP1A2 3545/4885NR1I2 2965/4885PGR 4250/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 CYP1A2 2127/4885NR1I2 3410/4885PGR 3849/4885

“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.