SCHEMBL5481866

SCHEMBL5481866

O=S(=O)([O-])CCC(O)CO.[Na+]

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 18)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.42
ENPEP Q07075 2/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 2/20 0.36
GMNN O75496 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRYAA P02489 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Lithium Ion SCHEMBL29257538 0.95 LMNA (0.43) ENPEPLMNAALDH1A1THRBTP53
SCHEMBL29257532 0.86 ENPEP (0.47) ENPEPLMNAALDH1A1THRBTP53
Lithium Ion SCHEMBL29257535 0.82 ENPEP (0.42) ENPEPLMNAALDH1A1THRBTP53
Glycerin SCHEMBL1712543 0.82 TP53 (0.58) ENPEPLMNAALDH1A1THRBTP53
Glycerin SCHEMBL1712541 0.82 TP53 (0.58) ENPEPLMNAALDH1A1THRBTP53
Glycerin SCHEMBL2637741 0.79 LMNA (0.53) ENPEPLMNAALDH1A1THRBTP53
SCHEMBL15754444 0.79 ENPEP (0.42) ENPEPLMNAALDH1A1TP53KDM4E
SCHEMBL15420731 0.79 ENPEP (0.42) ENPEPLMNAALDH1A1TP53KDM4E
SCHEMBL15754666 0.77 ENPEP (0.41) ENPEPLMNAALDH1A1TP53KDM4E
SCHEMBL28554323 0.77 ENPEP (0.48) ENPEPLMNAALDH1A1TP53KDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425311-A4 CYCLODEXTRIN SULFONATES, GUEST INCLUSION COMPLEXES, METHODS OF MAKING THE SAME AND RELATED MATERIALS EASTMAN CHEM CO (US) 2004-12-01 EP claimed
EP-1425311-A2 CYCLODEXTRIN SULFONATES, GUEST INCLUSION COMPLEXES, METHODS OF MAKING THE SAME AND RELATED MATERIALS EASTMAN CHEMICAL COMPANY (US) 2004-06-09 EP claimed
US-20040054164-A1 Cyclodextrin sulfonates, guest inclusion complexes, methods of making the same and related materials EASTMAN CHEMICAL COMPANY (US) 2004-03-18 US claimed
US-20020128468-A1 Cyclodextrin sulfonates, guest inclusion complexes methods of making the same and related materials BUCHANAN CHARLES M (US) 2002-09-12 US claimed
WO-2002055562-A2 CYCLODEXTRIN SULFONATES, GUEST INCLUSION COMPLEXES, METHODS OF MAKING THE SAME AND RELATED MATERIALS EASTMAN CHEM CO (US) 2002-07-18 WO claimed
US-20240360097-A1 Compound and Method for Preparing Same LG CHEM, LTD. (KR) 2024-10-31 US disclosed
US-20240300915-A1 Method for Preparing Cyclic Sulfonic Acid Ester Derivative Compound LG CHEM, LTD. (KR) 2024-09-12 US disclosed
EP-4365169-A1 COMPOUND AND PREPARATION METHOD THEREOF LG Chem, Ltd. (KR) 2024-05-08 EP disclosed
CN-117881666-A Compounds and methods for their preparation 株式会社LG化学 2024-04-12 CN disclosed
EP-4342887-A1 METHOD FOR PREPARING CYCLIC SULFONIC ACID ESTER DERIVATIVE COMPOUND LG Chem, Ltd. (KR) 2024-03-27 EP disclosed
CN-117561243-A Process for the preparation of cyclic sulfonate derivative compounds 株式会社LG化学 2024-02-13 CN disclosed
US-20240014443-A1 Non-Aqueous Electrolyte Solution Additive for Lithium Secondary Battery, and Non-Aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery Which Include the Same LG CHEM, LTD. (KR) 2024-01-11 US disclosed
WO-2022211425-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION ADDITIVE FOR LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY, EACH COMPRISING SAME 주식회사 엘지화학 2022-10-06 WO disclosed
US-7189798-B2 Composition containing mixture of dihydroxybutane sulfonates EASTMAN CHEMICAL COMPANY (US) 2007-03-13 US disclosed
EP-1425311-A4 CYCLODEXTRIN SULFONATES, GUEST INCLUSION COMPLEXES, METHODS OF MAKING THE SAME AND RELATED MATERIALS EASTMAN CHEM CO (US) 2004-12-01 EP disclosed
EP-1425311-A2 CYCLODEXTRIN SULFONATES, GUEST INCLUSION COMPLEXES, METHODS OF MAKING THE SAME AND RELATED MATERIALS EASTMAN CHEMICAL COMPANY (US) 2004-06-09 EP disclosed
US-20040054164-A1 Cyclodextrin sulfonates, guest inclusion complexes, methods of making the same and related materials EASTMAN CHEMICAL COMPANY (US) 2004-03-18 US disclosed
US-6610671-B2 Cyclodextrin derivatives for use in cosmetics, pharmacolog, cosmetic, or nutrients EASTMAN CHEMICAL COMPANY 2003-08-26 US disclosed
US-20020128468-A1 Cyclodextrin sulfonates, guest inclusion complexes methods of making the same and related materials BUCHANAN CHARLES M (US) 2002-09-12 US disclosed
WO-2002055562-A2 CYCLODEXTRIN SULFONATES, GUEST INCLUSION COMPLEXES, METHODS OF MAKING THE SAME AND RELATED MATERIALS EASTMAN CHEM CO (US) 2002-07-18 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-20240360097-A1 Compound and Method for Preparing Same STS, NOTUM, CYP21A2 THRB 4735/4885ENPEP 2069/4885LMNA 2654/4885
US-20240014443-A1 Non-Aqueous Electrolyte Solution Additive for Lithium Secondary Battery, and Non-Aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery Which Include the Same TST, LRRK2, LAGE3 THRB 2914/4885ENPEP 4034/4885LMNA 3082/4885
US-20240300915-A1 Method for Preparing Cyclic Sulfonic Acid Ester Derivative Compound STS, TMT1A, TST THRB 678/4885ENPEP 4056/4885LMNA 4159/4885

“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.