SCHEMBL981406

SCHEMBL981406

O=C([O-])c1cccc(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.48
CA4 known ✓ P22748 1/20 0.48
CA1 known ✓ P00915 2/20 0.42
FGF1 known ✓ P05230 1/20 0.38
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DUSP5 Q16690 2/20 0.39
MAPT P10636 1/20 0.39
IL1RN P18510 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL30785961 1.00 CA2 (0.48) CA2CA4LMNATDP1CA1
Potassium Ion SCHEMBL31530533 0.96 CA2 (0.43) CA2CA4LMNATDP1CA1
Terephthalic Acid SCHEMBL8053920 0.87 CA2 (0.48) CA2CA4CA1DUSP5PTPN1
SCHEMBL5079232 0.86 LMNA (0.53) CA2LMNATDP1CA1F2
Tetraphenylphosphonium SCHEMBL31425587 0.85 CA2 (0.43) CA2CA4TDP1CA1F2
SCHEMBL1356070 0.85 TSHR (0.50) CA2CA4LMNATDP1CA1
SCHEMBL2365675 0.85 TSHR (0.50) CA2CA4LMNATDP1CA1
SCHEMBL39401 0.85 F2 (0.56) CA2CA1F2PRSS1PRSS2
SCHEMBL30479405 0.85 F2 (0.56) CA2CA1F2PRSS1PRSS2
Isophthalic Acid SCHEMBL1396767 0.84 CA2 (0.56) CA2CA4TDP1CA1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222647-B1 POLYESTER, METHOD FOR THEIR PREPARATION AND THEIR USE WEYLCHEM WIESBADEN GMBH (DE) 2018-10-17 EP claimed
US-20170275420-A1 Polyesters, Manufacturing Process Thereof and Their Use WEYLCHEM WIESBADEN GMBH (DE) 2017-09-28 US claimed
US-7875694-B2 reacting a sulfobenzoic acid cyclic anhydride or sulfobenzoic acid sodium salt with amine functional siloxane; emulsion; useful in a variety of personal, household, healthcare formulations, as well as fabric and textile treatments; produced by a safer route DOW CORNING CORPORATION (US) 2011-01-25 US claimed
US-20090043069-A1 ACTIVATED ESTERS FOR SYNTHESIS OF SULFONATED TELECHELIC POLYCARBONATES GENERAL ELECTRIC COMPANY (US) 2009-02-12 US claimed
WO-2009020967-A1 ACTIVATED ESTERS FOR SYNTHESIS OF SULFONATED TELECHELIC POLYCARBONATES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-02-12 WO claimed
EP-1824905-B1 SULFONATE FUNCTIONAL ORGANOPOLYSILOXANES DOW CORNING (US) 2008-11-26 EP claimed
US-20070299140-A1 reacting a sulfobenzoic acid cyclic anhydride or sulfobenzoic acid sodium salt with amine functional siloxane; emulsion; useful in a variety of personal, household, healthcare formulations, as well as fabric and textile treatments; produced by a safer route KENNAN JOHN J 2007-12-27 US claimed
EP-1824905-A2 SULFONATE FUNCTIONAL ORGANOPOLYSILOXANES Dow Corning Corporation (US) 2007-08-29 EP claimed
WO-2006065467-A2 SULFONATE FUNCTIONAL ORGANOPOLYSILOXANES DOW CORNING CORPORATION (US) 2006-06-22 WO claimed
EP-3986974-B1 SILICATE BASED HEAT TRANSFER FLUID, METHODS OF ITS PREPARATIONS AND USES THEREOF ARTECO NV (BE) 2023-07-26 EP disclosed
US-20230167227-A1 AQUEOUS DISPERSION OF POLY(ESTER-URETHANE) OR OF POLY(ESTER-URETHANE-UREA) ARKEMA FRANCE (FR) 2023-06-01 US disclosed
US-11643501-B2 Oxidizing, ionic and short oil alkyd resins for coatings with excellent balance of hardness and gloss COVESTRO (NETHERLANDS) B.V. (NL) 2023-05-09 US disclosed
CN-115715304-A Aqueous dispersions of poly (ester-urethane) or poly (ester-urethane-urea) 阿科玛法国公司 2023-02-24 CN disclosed
US-20220306925-A1 Silicate based heat transfer fluid, methods of its preparations and uses thereof Arteco N.v. (BE) 2022-09-29 US disclosed
EP-0547106-B1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS PROCTER & GAMBLE (US) 1995-12-27 EP disclosed
EP-0356902-B1 Polyesters with modified melt viscosity GEN ELECTRIC (US) 1995-11-22 EP disclosed
EP-0679941-A2 Sulfo-substituted carboxylates as buffers for photographic bleaches and bleach-fixes EASTMAN KODAK COMPANY (US) 1995-11-02 EP disclosed
EP-0547106-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS. PROCTER & GAMBLE (US) 1993-06-23 EP disclosed
WO-1992004433-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-03-19 WO disclosed
EP-0356902-A2 Polyesters with modified melt viscosity GENERAL ELECTRIC COMPANY (US) 1990-03-07 EP 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 (1 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-20070299140-A1 reacting a sulfobenzoic acid cyclic anhydride or sulfobenzoic acid sodium salt with amine functional siloxane; emulsion; useful in a variety of personal, household, healthcare formulations, as well as fabric and textile treatments; produced by a safer route STS, USP21, SCLY CA2 494/4885CA4 302/4885CA1 359/4885

“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.