SCHEMBL3422223

SCHEMBL3422223

CC(O)C(C)O.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CYP3A4 P08684 1/20 0.36
GRIA1 P42261 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA14 Q9ULX7 1/20 0.32
CA1 P00915 2/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL9665309 0.89 CA2 (0.39) CA2ALDH1A1LMNAKDM4ECA5A
Sulfuric Acid SCHEMBL5770370 0.88 CA5A (0.50) CA2ALDH1A1LMNAKDM4ECA5A
SCHEMBL575531 0.88 CA2 (0.44) CA2ALDH1A1LMNAKDM4ECA5A
Isopropyl Alcohol SCHEMBL9431191 0.88
SCHEMBL28243588 0.84
SCHEMBL17908556 0.83 CA2 (0.54) CA2ALDH1A1KDM4ECA5ACA5B
SCHEMBL756085 0.83
SCHEMBL11137444 0.83 TP53 (0.36) CA2ALDH1A1LMNAKDM4ECA5A
SCHEMBL28072932 0.81
SCHEMBL1833267 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108140895-B Nonaqueous electrolyte solution for lithium secondary battery or lithium ion capacitor, and lithium secondary battery or lithium ion capacitor using same MU电解液株式会社 2021-04-30 CN disclosed
US-9708245-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-9085527-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-8846972-B2 2014-09-30 US disclosed
EP-1772924-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2013-04-10 EP disclosed
US-20100184730-A1 Fatty Acid Acylated Salicylates and Their Uses CATABASIS PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-7629085-B2 sulfur-containing acid ester and an alkyne-containing compound; excellent battery characteristics in cycle performance, electric capacity and storage property; e.g. 2-propynyl methyl carbonate and 1,3-propanesultone UBE INDUSTRIES, LTD. (JP) 2009-12-08 US disclosed
US-20070231707-A1 Nonaqueous Electrolytic Solution and Lithium Secondary Battery MU IONIC SOLUTIONS CORPORATION (JP) 2007-10-04 US disclosed
EP-1772924-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2007-04-11 EP disclosed
US-6436582-B1 A NON-AQUEOUS SOLVENT AND (II) AN ELECTROLYTE SALT DISSOLVED THEREIN AND (III) A DISULFONATE ESTER DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2002-08-20 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 (2 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-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES FADS1, FASN, ALOX5 CA2 1879/4885ALDH1A1 230/4885LMNA 3266/4885
US-20100184730-A1 Fatty Acid Acylated Salicylates and Their Uses FADS1, FASN, ALOX5 CA2 1879/4885ALDH1A1 230/4885LMNA 3266/4885

“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.