SCHEMBL161924

SCHEMBL161924

[CH2]c1cccc(S(=O)(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.42
CYP1A2 P05177 2/20 0.40
PGAM1 P18669 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MYC P01106 1/20 0.36
ATIC P31939 1/20 0.36
CDK2 P24941 2/20 0.35
FABP4 P15090 1/20 0.35
CCNA2 P20248 1/20 0.35
MAPK14 Q16539 1/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR4A1 P22736 1/20 0.34
MPL P40238 2/20 0.33
COMT P21964 1/20 0.33
LMNA P02545 1/20 0.33
CHAT P28329 1/20 0.33
SNCA P37840 1/20 0.33
CTRB1 P17538 1/20 0.33

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
SCHEMBL9446869 0.84 TTR (0.50) TTRCYP1A2PGAM1AURKAAURKB
SCHEMBL7784949 0.81 TTR (0.48) TTRCYP1A2PGAM1AURKAAURKB
SCHEMBL9636011 0.80 TTR (0.44) TTRCYP1A2PGAM1AURKAAURKB
SCHEMBL332245 0.79 TSHR (0.44) TTRCYP1A2PGAM1AURKAAURKB
SCHEMBL5346252 0.78 MYC (0.44) TTRCYP1A2AURKAAURKBMYC
SCHEMBL8517108 0.77 PGAM1 (0.47) TTRCYP1A2PGAM1AURKAAURKB
SCHEMBL29470806 0.77 CDK2 (0.50) TTRCYP1A2PGAM1AURKAAURKB
SCHEMBL114040 0.77 CDK2 (0.50) TTRCYP1A2PGAM1AURKAAURKB
Potassium SCHEMBL8940728 0.76 CDK2 (0.48) TTRCYP1A2PGAM1AURKAAURKB
SCHEMBL9509847 0.76 CDK2 (0.48) TTRCYP1A2PGAM1AURKAAURKB

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
WO-2019169478-A1 TREATMENT OF PROTEIN AGGREGATION DISEASES USING N,N,N-TRIMETHYLCHITOSAN OVENSA INC. (CA) 2019-09-12 WO claimed
WO-2019169478-A1 TREATMENT OF PROTEIN AGGREGATION DISEASES USING N,N,N-TRIMETHYLCHITOSAN OVENSA INC. (CA) 2019-09-12 WO disclosed
WO-2012027794-A2 METHOD OF TREATMENT AND AGENTS USEFUL FOR SAME THE MENTAL HEALTH RESEARCH INSTITUTE OF VICTORIA (AU) 2012-03-08 WO disclosed
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed