SCHEMBL1498017

SCHEMBL1498017

CCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

nearest known ligand 0.46

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 8)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.38
CA2 known ✓ P00918 1/20 0.35
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL29272017 1.00 RECQL (0.46) RECQLALDH1A1ATMCA1HPGD
SCHEMBL6138906 0.95 RECQL (0.44) RECQLCA1HPGDTSHR
SCHEMBL401362 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL208567 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL138400 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL6139132 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL8376551 0.94 RECQL (0.43) RECQLHPGDTSHR
Octane SCHEMBL7762184 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL4941649 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL1171007 0.94 RECQL (0.43) RECQLHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790450-A Sulfosuccinate surfactant composition and the method for using it 塞特工业公司 2019-05-21 CN claimed
CN-113373687-A Agent for treating artificial silk ear barrel and artificial silk ear barrel using same 三吉油脂株式会社 2021-09-10 CN disclosed
CN-109790450-A Sulfosuccinate surfactant composition and the method for using it 塞特工业公司 2019-05-21 CN disclosed
CN-107523166-A A kind of volcanic ash water proof fire retardant gasket coating and preparation method thereof 胡冬冬 2017-12-29 CN disclosed
US-9307757-B2 Monoalkyl sulfosuccinates in pesticide formulations and applications AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-04-12 US disclosed
EP-2480070-B1 Monoalkyl sulfosuccinates in pesticide formulations and applications as hydrotropes AKZO NOBEL CHEMICALS INT BV (NL) 2016-01-06 EP disclosed
CN-102573458-B Monoalkyl sulfosuccinates in pesticide formulations and applications as hydrotropes AKZO NOBEL CHEMICALS INT BV 2015-05-27 CN disclosed
EP-2480070-A2 MONOALKYL SULFOSUCCINATES IN PESTICIDE FORMULATIONS AND APPLICATIONS AS HYDROTROPES Akzo Nobel Chemicals International B.V. (NL) 2012-08-01 EP disclosed
CN-102573458-A Monoalkyl sulfosuccinates in pesticide formulations and applications as hydrotropes AKZO NOBEL CHEMICALS INT BV 2012-07-11 CN disclosed
US-20120172229-A1 MONOALKYL SULFOSUCCINATES IN PESTICIDE FORMULATIONS AND APPLICATIONS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-07-05 US disclosed
WO-2011036152-A2 MONOALKYL SULFOSUCCINATES IN PESTICIDE FORMULATIONS AND APPLICATIONS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-03-31 WO disclosed
CN-1047515-C Lipstick PROCTER & GAMBLE (US) 1999-12-22 CN disclosed
CN-1092282-A Lipstick PROCTER & GAMBLE (US) 1994-09-21 CN 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-20120172229-A1 MONOALKYL SULFOSUCCINATES IN PESTICIDE FORMULATIONS AND APPLICATIONS AGPS, PFAS, GLUL CA1 1891/4885CA2 622/4885RECQL 2037/4885

“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.