SCHEMBL4809983

SCHEMBL4809983

CCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[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 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
RECQL P46063 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.45
BLM P54132 1/20 0.45
NAAA Q02083 1/20 0.42
EPHX1 P07099 1/20 0.40
CES2 O00748 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL2729134 1.00 TSHR (0.45) TSHRRECQLGLAHPGDMAPK1
SCHEMBL158736 1.00 TSHR (0.45) TSHRRECQLGLAHPGDMAPK1
SCHEMBL401361 1.00 TSHR (0.45) TSHRRECQLGLAHPGDMAPK1
SCHEMBL208566 1.00 TSHR (0.45) TSHRRECQLGLAHPGDMAPK1
SCHEMBL5982864 1.00 TSHR (0.45) TSHRRECQLGLAHPGDMAPK1
SCHEMBL4941637 1.00 TSHR (0.45) TSHRRECQLGLAHPGDMAPK1
SCHEMBL11203648 1.00 TSHR (0.45) TSHRRECQLGLAHPGDMAPK1
Potassium Ion SCHEMBL8777175 0.97 NAAA (0.42) TSHRRECQLGLAHPGDMAPK1
SCHEMBL2120646 0.92 FABP3 (0.47) EPHX2
SCHEMBL11128465 0.91 RECQL (0.45) TSHRRECQLGLAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188574-A1 LIghtweight, clean feel; long lasting, sweat resistant sunscreen cosmetics; preparation with high speed bead mill; hydrophobic treatment SUNJIN CHEMICAL CO., LTD. (KR) 2008-08-07 US claimed
US-12458026-B2 Pesticide compositions SPECIALTY OPERATIONS FRANCE (FR) 2025-11-04 US disclosed
CN-119968452-A Perfume mixture (VI) 西姆莱斯股份公司 2025-05-09 CN disclosed
CN-119790128-A Perfume mixture (III) 西姆莱斯股份公司 2025-04-08 CN disclosed
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 CN disclosed
CN-119604270-A Comprising an antimicrobial agent accelerator composition 西姆莱斯股份公司 2025-03-11 CN disclosed
CN-119486725-A (2E) Mixtures and uses of (E) -3- (1, 3-benzodioxol-5-yl) -N-phenyl-N- (tetrahydro-3-furanyl) -2-propenamide 西姆莱斯有限公司 2025-02-18 CN disclosed
CN-119317695-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN disclosed
CN-119317696-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN disclosed
CN-119255980-A Perfume with cyclopropyl structure 西姆莱斯股份公司 2025-01-03 CN disclosed
EP-3648607-A1 PESTICIDE COMPOSITIONS Rhodia Operations (FR) 2020-05-13 EP disclosed
US-20200128831-A1 Pesticide Compositions SPECIALTY OPERATIONS FRANCE (FR) 2020-04-30 US disclosed
CN-111050742-A Water-based concentrated product form of oil-soluble organic UV absorber 巴斯夫欧洲公司 2020-04-21 CN disclosed
CN-110582266-A Improved cleaning compositions 强生消费者公司 2019-12-17 CN disclosed
WO-2019006726-A1 HERBICIDAL COMPOSITIONS RHODIA OPERATIONS (FR) 2019-01-10 WO disclosed
WO-2019007393-A1 PESTICIDE COMPOSITIONS RHODIA OPERATIONS (FR) 2019-01-10 WO disclosed
US-20080188574-A1 LIghtweight, clean feel; long lasting, sweat resistant sunscreen cosmetics; preparation with high speed bead mill; hydrophobic treatment SUNJIN CHEMICAL CO., LTD. (KR) 2008-08-07 US disclosed
US-5861365-A FLUOROALKYL POLYOXYALKYLENE COMPOUND, A POLYACID OR AMINE, ANIONIC SURFACTANTS WITH SOLVENT, CITRIC ACID SALT AND WATER RECKITT & COLMAN INC. (US) 1999-01-19 US disclosed
EP-0472591-A1 SULFOSUCCINATE DETERGENT COMPOSITION HENKEL CORPORATION (US) 1992-03-04 EP disclosed
WO-1990014411-A1 SULFOSUCCINATE DETERGENT COMPOSITION HENKEL CORPORATION (US) 1990-11-29 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 (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-12458026-B2 Pesticide compositions DDT, SGMS2, SGMS1 TSHR 2083/4885RECQL 2931/4885GLA 2320/4885
US-20200128831-A1 Pesticide Compositions DDT, SGMS2, SGMS1 TSHR 2083/4885RECQL 2931/4885GLA 2320/4885

“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.