SCHEMBL452424

SCHEMBL452424

O=S(=O)([O-])c1cccc(O)c1O.[Na+]

nearest known ligand 0.50

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
CA1 known ✓ P00915 1/20 0.46
CA2 known ✓ P00918 1/20 0.46
PTGS1 known ✓ P23219 1/20 0.44
THRB known ✓ P10828 1/20 0.39
P2RY12 known ✓ Q9H244 1/20 0.36
DUSP5 Q16690 3/20 0.50
NR4A1 P22736 1/20 0.46
CDK2 P24941 2/20 0.46
ADAMTS4 O75173 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
FYN P06241 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MMP8 P22894 1/20 0.46
CA6 P23280 1/20 0.46
MMP12 P39900 1/20 0.46

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
SCHEMBL11199053 1.00 DUSP5 (0.50) DUSP5NR4A1CDK2ADAMTS4ALDH1A1
SCHEMBL9805973 0.96 PTGS1 (0.48) DUSP5NR4A1CDK2ADAMTS4ALDH1A1
SCHEMBL9509844 0.96 NR4A1 (0.50) DUSP5NR4A1CDK2ADAMTS4ALDH1A1
Lithium Ion SCHEMBL29083050 0.96 DUSP5 (0.46) DUSP5NR4A1CDK2ADAMTS4ALDH1A1
Potassium Ion SCHEMBL5191230 0.96 NR4A1 (0.50) DUSP5NR4A1CDK2ADAMTS4ALDH1A1
Water SCHEMBL28391333 0.94 PTGS1 (0.47) DUSP5NR4A1CDK2ADAMTS4ALDH1A1
SCHEMBL8144698 0.91 DUSP5 (0.44) DUSP5NR4A1CDK2ADAMTS4ALDH1A1
SCHEMBL7784950 0.89 DUSP5 (0.50) DUSP5NR4A1CDK2TDP1PKLR
SCHEMBL29241949 0.83 PKLR (0.51) DUSP5NR4A1CDK2ADAMTS4ALDH1A1
Phenolsulphonic Acid SCHEMBL3700204 0.82 PTGS1 (0.52) DUSP5NR4A1CDK2ALDH1A1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116036383-A Ultra-smooth hydrophilic coating for interventional guide wire and preparation method thereof 佛山市其右医疗科技有限公司 2023-05-02 CN claimed
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO claimed
EP-0757715-B1 CELLULASE FABRIC-CONDITIONING COMPOSITIONS PROCTER & GAMBLE (US) 1999-12-08 EP claimed
EP-0757715-A1 CELLULASE FABRIC-CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-02-12 EP claimed
WO-1995029980-A1 CELLULASE FABRIC-CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-11-09 WO claimed
US-5445747-A Containing fabric softener, perfume selected to cover odors THE PROCTER & GAMBLE COMPANY (US) 1995-08-29 US claimed
JP-53142873-A None JP disclosed
CN-116640465-A High-light-resistance titanium dioxide and preparation method thereof 河南佰利联新材料有限公司 2023-08-25 CN disclosed
CN-116036383-A Ultra-smooth hydrophilic coating for interventional guide wire and preparation method thereof 佛山市其右医疗科技有限公司 2023-05-02 CN disclosed
US-20120065114-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2012-03-15 US disclosed
US-20110268818-A1 NGAL-BINDING SIDEROPHORES AND USE THEREOF TO TREAT IRON DEFICIENCY AND IRON OVERLOAD NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-11-03 US disclosed
US-20110207643-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2011-08-25 US disclosed
EP-2330897-A1 NGAL-BINDING SIDEROPHORES AND USE THEREOF TO TREAT IRON DEFICIENCY AND IRON OVERLOAD The Trustees of Columbia University in the City of New York (US) 2011-06-15 EP disclosed
WO-1996015212-A1 CONCENTRATED BIODEGRADABLE QUATERNARY AMMONIUM FABRIC SOFTENER COMPOSITIONS CONTAINING INTERMEDIATE IODINE VALUE FATTY ACID CHAINS THE PROCTER & GAMBLE COMPANY (US) 1996-05-23 WO disclosed
WO-1996012785-A1 FABRIC SOFTENER COMPOSITIONS WITH REDUCED ENVIRONMENTAL IMPACT THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO disclosed
US-5474690-A Storage stability, viscosity stability THE PROCTER & GAMBLE COMPANY (US) 1995-12-12 US disclosed
WO-1995029980-A1 CELLULASE FABRIC-CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-11-09 WO disclosed
WO-1995024460-A1 FABRIC SOFTENER COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-09-14 WO disclosed
US-5445747-A Containing fabric softener, perfume selected to cover odors THE PROCTER & GAMBLE COMPANY (US) 1995-08-29 US disclosed
JP-S53142873-A ETCHING METHOD OF GAAS GROUP COMPOUND SEMICONDUCTOR CRYSTAL TOSHIBA CORP 1978-12-12 JP 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-20110207643-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT MAOA, MAOB, CMA1 CA1 1127/4885CA2 1348/4885PTGS1 119/4885
US-20110268818-A1 NGAL-BINDING SIDEROPHORES AND USE THEREOF TO TREAT IRON DEFICIENCY AND IRON OVERLOAD SLC40A1, HAMP, TFRC CA1 2702/4885CA2 1383/4885PTGS1 1616/4885

“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.