SCHEMBL446245

SCHEMBL446245

O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cc(O)ccc2c1.[Na+].[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 18)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.47
THRB known ✓ P10828 2/20 0.43
PTGES O14684 1/20 0.49
DUSP5 Q16690 4/20 0.49
PTPN1 P18031 5/20 0.47
APP P05067 1/20 0.45
SIRT1 Q96EB6 1/20 0.42
PRMT1 Q99873 1/20 0.42
PTPN7 P35236 1/20 0.40
PTPN11 Q06124 1/20 0.40
DUSP6 Q16828 1/20 0.40
APEX1 P27695 1/20 0.38
MPL P40238 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
KMT2A Q03164 1/20 0.36
PLEC Q15149 1/20 0.36

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
SCHEMBL31709159 1.00 PTGES (0.49) PTGESDUSP5PTPN1PTGS1APP
Potassium Ion SCHEMBL31235662 0.97 PTGES (0.49) PTGESDUSP5PTPN1PTGS1APP
Potassium Ion SCHEMBL5036933 0.97 PTGES (0.49) PTGESDUSP5PTPN1PTGS1APP
SCHEMBL5292700 0.86 DUSP5 (0.46) DUSP5PTPN1APPTHRBSIRT1
SCHEMBL1070219 0.85 PTPN1 (0.58) PTGESDUSP5PTPN1PTGS1APP
SCHEMBL8008835 0.80 NT5E (0.47) DUSP5PTPN1APPTHRBSIRT1
SCHEMBL31099415 0.80 NT5E (0.47) DUSP5PTPN1APPTHRBSIRT1
SCHEMBL29627069 0.80 NT5E (0.47) DUSP5PTPN1APPTHRBSIRT1
Sulfuric Acid SCHEMBL8333659 0.79 PTGES (0.51) PTGESPTPN1PRMT1PTPN7PTPN11
SCHEMBL29691763 0.79 PTPN1 (0.55) DUSP5PTPN1PTGS1APPTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11752086-B2 Topical formulations and methods MYOCEPT INC. (US) 2023-09-12 US disclosed
CN-111182884-B Inorganic sunscreen coated with adducts of hydroxycinnamic esters and silanols 维佐尔有限责任公司 2023-01-31 CN disclosed
CN-115594987-A Acid orange disazo dye and preparation method thereof 金华恒利康化工有限公司(CN) 2023-01-13 CN disclosed
CN-112341836-B Weak acid red bisazo dye and preparation method thereof 金华恒利康化工有限公司 2021-09-21 CN disclosed
CN-112341836-A Weak acid red bisazo dye and preparation method thereof 金华恒利康化工有限公司 2021-02-09 CN disclosed
CN-110612093-A Topical formulations and methods 麦欧赛普特股份有限公司 2019-12-24 CN disclosed
WO-2018148338-A1 TOPICAL FORMULATIONS AND METHODS PETERS LARS ERIK (US) 2018-08-16 WO disclosed
US-20170105967-A1 COMPOSITIONS AND METHODS OF TREATMENT OF INFLAMMATORY SKIN CONDITIONS USING ALLANTOIN SCIODERM, INC. (US) 2017-04-20 US disclosed
US-20170105968-A1 Compositions and Methods for Treatment of Inflammatory Skin Conditions Using Allantoin SCIODERM, INC. (US) 2017-04-20 US disclosed
US-20170049749-A1 METHODS FOR TREATING BURNS USING ALLANTOIN Scioderm.Inc. (US) 2017-02-23 US disclosed
US-20060045926-A1 Methods and compositions for enhancing collagen and proteoglycan synthesis in the skin NIMNI MARCEL 2006-03-02 US disclosed
US-20030157137-A1 Emulsified skin care composition containing salicylic acid, lanolin oil, and propylene glycol ALWYN COMPANY, INC. 2003-08-21 US disclosed
US-20030147968-A1 Allantoin-containing preparations for administration as gels and aerosols ALWYN COMPANY, INC. 2003-08-07 US disclosed
WO-2003053369-A1 ALLANTOIN-CONTAINING PREPARATIONS FOR ADMINISTRATION AS GELS AND AEROSOLS ALWYN COMPANY, INC. (US) 2003-07-03 WO disclosed
WO-2003041688-A1 METHODS FOR TREATMENT OF INFLAMMATORY DISEASES ALWYN COMPANY, INC. (US) 2003-05-22 WO disclosed
WO-2003041651-A2 ALLATOIN-CONTAINING SKIN CREAM ALWYN COMPANY, INC. (US) 2003-05-22 WO disclosed
US-20020054895-A1 And at least one anionic or nonionic emulsifier that is substantially hydrophilic and is soluble in water; skin protectants ALWYN COMPANY, INC. 2002-05-09 US disclosed
US-20020055531-A1 Methods for treatment of inflammatory diseases SWEEN, MAURICE ALWYN 2002-05-09 US disclosed
US-6376557-B1 TRANSDERMAL SUPPLYING ZAVERI CHANDA BHUWALKA (US) 2002-04-23 US disclosed
WO-2001068107-A1 HAIR RESTORATION FORMULATION ZAVERI CHANDA BHUWALKA (US) 2001-09-20 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 (5 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-20170049749-A1 METHODS FOR TREATING BURNS USING ALLANTOIN ALKBH1, ALKBH3, FAAH2 PTGS1 133/4885THRB 4856/4885PTGES 148/4885
US-20060045926-A1 Methods and compositions for enhancing collagen and proteoglycan synthesis in the skin COL1A1, COL14A1, COL2A1 PTGS1 149/4885THRB 1662/4885PTGES 177/4885
US-20170105967-A1 COMPOSITIONS AND METHODS OF TREATMENT OF INFLAMMATORY SKIN CONDITIONS USING ALLANTOIN CUTA, ITCH, ARG1 PTGS1 192/4885THRB 4521/4885PTGES 180/4885
US-20170105968-A1 Compositions and Methods for Treatment of Inflammatory Skin Conditions Using Allantoin CUTA, ITCH, ARG1 PTGS1 208/4885THRB 4529/4885PTGES 191/4885
US-11752086-B2 Topical formulations and methods KRT18, ANXA3, VIP PTGS1 2127/4885THRB 3697/4885PTGES 2463/4885

“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.