SCHEMBL625084

SCHEMBL625084

CCCCCCCCCCCCN(C)CCS(=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 20)

geneUniProtsupporting neighboursconfidence
FDPS known ✓ P14324 1/20 0.39
PDE3A known ✓ Q14432 1/20 0.39
THRA known ✓ P10827 1/20 0.37
THRB known ✓ P10828 1/20 0.37
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
DNM1 Q05193 3/20 0.41
RECQL P46063 2/20 0.41
EPHX2 P34913 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
GGPS1 O95749 4/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PHF8 Q9UPP1 1/20 0.39

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
SCHEMBL30343169 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL713063 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL1728405 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL6402056 0.98 S1PR2 (0.43) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL8388882 0.90 EPHX2 (0.52) S1PR2S1PR1S1PR3S1PR5EPHX2
SCHEMBL82226 0.90 EPHX2 (0.52) S1PR2S1PR1S1PR3S1PR5EPHX2
Potassium Ion SCHEMBL1820922 0.87 EPHX2 (0.49) EPHX2FAAH
Taurine SCHEMBL31682421 0.86 LMNA (0.40) S1PR2S1PR1S1PR3S1PR5RECQL
Taurine SCHEMBL30343181 0.83 S1PR2 (0.40) S1PR2S1PR1S1PR3S1PR5RECQL
SCHEMBL2925349 0.78 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629807-A2 WATER-BASED AIR FRESHENER COMPOSITIONS, SYSTEMS, AND METHODS OF USE THEREOF Agilex Flavor&Fragrances (US) 2013-08-28 EP claimed
WO-2012054939-A2 WATER-BASED AIR FRESHENER COMPOSITIONS, SYSTEMS, AND METHODS OF USE THEREOF AGILEX FLAVOR & FRAGRANCES (US) 2012-04-26 WO claimed
JP-3038516-A None JP disclosed
US-20260096569-A1 EDIBLE COATING WITH ANTIMICROBIAL PROPERTIES APEEL TECH INC (US) 2026-04-09 US disclosed
EP-3578161-B1 METHOD FOR IMPROVING STORAGE STABILITY OF COSMETIC ADEKA CORP (JP) 2025-11-12 EP disclosed
CN-119137251-A Compositions, methods and uses 因诺斯佩克有限公司 2024-12-13 CN disclosed
CN-113164800-B Detergent composition 株式会社资生堂 2024-11-22 CN disclosed
CN-114466647-B Solid water-in-oil type emulsified cosmetic 株式会社资生堂 2024-09-24 CN disclosed
CN-113164433-B Oily moisturizer and external composition for skin containing same 日清奥利友集团株式会社 2024-07-09 CN disclosed
CN-117813076-A Oil-in-water type cleaning composition 株式会社资生堂 2024-04-02 CN disclosed
CN-113599346-B Skin care and repair composition 浙江楚沅生物科技有限公司 2024-03-08 CN disclosed
EP-0947203-A2 Agent for contact lenses Menicon Co., Ltd. (JP) 1999-10-06 EP disclosed
US-5747049-A AMINOETHYLSULFINIC ACID OR AMINOETHYLTHIOSULFONIC ACID, SUNSCREEN SHISEIDO COMPANY, LTD. (JP) 1998-05-05 US disclosed
US-5723110-A DISCOLORATION RESISTANCE FOR COSMETICS WITH BACTERICIDE ZEOLITES AND ION EXCHANGE IONS SHINAGAWA FUEL CO., LTD. (JP) 1998-03-03 US disclosed
EP-0432585-B1 A detergent resin composition CHISSO CORP (JP) 1997-02-12 EP disclosed
EP-0697212-A2 Deodorant cosmetic composition superior in resistance to discoloration and dispersion SHINAGAWA FUEL CO., LTD. (JP) 1996-02-21 EP disclosed
EP-0688559-A1 Skin anti-ageing composition SHISEIDO COMPANY LIMITED (JP) 1995-12-27 EP disclosed
US-5108645-A Styrene homo-or copolymer, polymethyl methacrylate, neutral salt of a sulfonic acid and basic compound in specific proportions; for molding machines CHISSO CORPORATION (JP) 1992-04-28 US disclosed
EP-0432585-A2 A detergent resin composition CHISSO CORPORATION (JP) 1991-06-19 EP disclosed
JP-H0338516-A COMPOSITION FOR ORAL CAVITY SHISEIDO CO LTD 1991-02-19 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 (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-20260096569-A1 EDIBLE COATING WITH ANTIMICROBIAL PROPERTIES CYP51A1, ERG28, NISCH FDPS 747/4885PDE3A 966/4885THRA 2903/4885

“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.