SCHEMBL354826

SCHEMBL354826

CC1=C(C)CC(S(=O)(=O)O)C(CNC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
ADRB3 P13945 1/20 0.33
DPP4 P27487 3/20 0.33
EPHX2 P34913 5/20 0.32
DHFR P00374 1/20 0.32
GFER P55789 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL351944 0.72
SCHEMBL18747628 0.62 DPP4 (0.45) DPP4EPHX2CA12CA2CA7
Sulfuric Acid SCHEMBL15211032 0.60 GRIN2D (0.73) EPHX2CA12CA2CA7CA9
SCHEMBL12226580 0.60 EPHX2 (0.39) ADRB3EPHX2CA12CA2CA7
SCHEMBL354387 0.60 EPHX2 (0.39) ADRB3EPHX2CA12CA2CA7
SCHEMBL21518364 0.60 ADRB3 (0.41) ADRB3DPP4EPHX2CA12CA2
SCHEMBL353898 0.60 EPHX2 (0.46) EPHX2
SCHEMBL917747 0.60 EPHX2 (0.50) EPHX2
SCHEMBL13330075 0.60 EPHX2 (0.46) EPHX2
SCHEMBL356023 0.59 DPP4 (0.38) DPP4EPHX2DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
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
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 WO 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 SCN9A 1026/4885ADRB3 882/4885DPP4 594/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SCN9A 894/4885ADRB3 896/4885DPP4 888/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SCN9A 813/4885ADRB3 730/4885DPP4 996/4885

“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.