SCHEMBL3595904

SCHEMBL3595904

CCC(O)NCCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
APP P05067 1/20 0.37
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
PPARA Q07869 2/20 0.31
LMNA P02545 3/20 0.31
CNR1 P21554 1/20 0.31
ADRA1A P35348 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TLR2 O60603 1/20 0.31
TP53 P04637 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
ABCC3 O15438 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL918213 1.00 EPHX2 (0.39) EPHX2APPCA1CA2PPARA
SCHEMBL916715 1.00 EPHX2 (0.39) EPHX2APPCA1CA2PPARA
SCHEMBL3605998 0.85 EPHX2 (0.41) EPHX2APPCA1CA2PPARA
SCHEMBL917885 0.85 EPHX2 (0.41) EPHX2APPCA1CA2PPARA
SCHEMBL918441 0.85 EPHX2 (0.41) EPHX2APPCA1CA2PPARA
SCHEMBL918467 0.85 EPHX2 (0.41) EPHX2APPCA1CA2PPARA
SCHEMBL5790232 0.82 ALDH1A1 (0.36) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL917679 0.82 LMNA (0.46) EPHX2APPCA1CA2LMNA
SCHEMBL4201284 0.80 ALDH1A1 (0.39) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL4205138 0.80 ALDH1A1 (0.39) LMNACNR1ADRA1ATDP1KDM4E

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 EPHX2 700/4885APP 1/4885CA1 749/4885
US-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases APP, IAPP, BACE1 EPHX2 2565/4885APP 1/4885CA1 2127/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 EPHX2 700/4885APP 1/4885CA1 749/4885

“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.