SCHEMBL6402056

SCHEMBL6402056

CCCCCN(C)CCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.43

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 0.40
PDE3A known ✓ Q14432 1/20 0.40
THRA known ✓ P10827 1/20 0.35
THRB known ✓ P10828 1/20 0.35
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
GGPS1 O95749 4/20 0.40
AGTR1 P30556 1/20 0.40
OPRM1 P35372 1/20 0.40
RECQL P46063 2/20 0.38
EPHX2 P34913 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
DNM1 Q05193 3/20 0.38
KDM5A P29375 3/20 0.38

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
SCHEMBL713063 0.98 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL30343169 0.98 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL625084 0.98 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL1728405 0.98 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL8388882 0.88 EPHX2 (0.52) S1PR2S1PR1S1PR3S1PR5EPHX2
SCHEMBL82226 0.88 EPHX2 (0.52) S1PR2S1PR1S1PR3S1PR5EPHX2
Potassium Ion SCHEMBL1820922 0.85 EPHX2 (0.49) EPHX2FAAH
Taurine SCHEMBL31682421 0.84 LMNA (0.40) S1PR2S1PR1S1PR3S1PR5GGPS1
Taurine SCHEMBL30343181 0.81 S1PR2 (0.40) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL170935 0.78 S1PR2 (0.48) S1PR2S1PR1S1PR3S1PR5GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4617148-A WATER SOLUBLE HYDROXYETHYL CELLULOSE OR HYDROXYPROPYL GUAR AS THICKENERS HERCULES INCORPORATED (US) 1986-10-14 US claimed
US-4556510-A ANIONIC SURFACTANT, WATER SOLUBLE POLYMER AND A LATHERING AGENT HERCULES INCORPORATED (US) 1985-12-03 US claimed
EP-0132961-A1 Transparent liquid shower soap HERCULES INCORPORATED (US) 1985-02-13 EP claimed
US-11872304-B2 Topical composition JINNO INSTITUTE (JP) 2024-01-16 US disclosed
EP-3804734-B1 TOPICAL COMPOSITION JINNO INST (JP) 2023-09-27 EP disclosed
US-11707066-B2 Disinfection formulation and disinfection method MITSUBISHI CHEMICAL FOODS CORPORATION (JP) 2023-07-25 US disclosed
CN-111343867-B Disinfectant preparation and disinfection method 三菱化学株式会社 2021-11-05 CN disclosed
US-20210205210-A1 TOPICAL COMPOSITION JINNO INSTITUTE (JP) 2021-07-08 US disclosed
EP-3804734-A1 TOPICAL COMPOSITION Jinno Institute (JP) 2021-04-14 EP disclosed
WO-2021033661-A1 GINGIVAL EPITHELIAL CELL ACTIVATOR 小林製薬株式会社 2021-02-25 WO disclosed
WO-2021033662-A1 GINGIVAL TISSUE DESTRUCTION INHIBITING AGENT 小林製薬株式会社 2021-02-25 WO disclosed
EP-2510981-B1 Composition for oral cavity SUNSTAR INC (JP) 2018-01-17 EP disclosed
EP-2510981-A1 Composition for oral cavity SUNSTAR KABUSHIKI KAISHA (JP) 2012-10-17 EP disclosed
US-20050244346-A1 Composition for oral cavity SUNSTAR KABUSHIKI KAISHA 2005-11-03 US disclosed
EP-1532971-A1 COMPOSITIONS FOR ORAL CAVITY SUNSTAR KABUSHIKI KAISHA (JP) 2005-05-25 EP disclosed
JP-2004339186-A CREAMY SKIN CLEANING COMPOSITION KOKYU ALCOHOL KOGYO CO LTD 2004-12-02 JP disclosed
EP-1236461-A1 TOOTHPASTE COMPOSITIONS Lion Corporation (JP) 2002-09-04 EP disclosed
US-5178869-A Abrasive uniformly dispersed in low visocity medium; stable; maintains fluidity; does not soak through bristles LION CORPORATION (JP) 1993-01-12 US disclosed
US-4617148-A WATER SOLUBLE HYDROXYETHYL CELLULOSE OR HYDROXYPROPYL GUAR AS THICKENERS HERCULES INCORPORATED (US) 1986-10-14 US disclosed
EP-0133345-A1 Opaque liquid hand soap HERCULES INCORPORATED (US) 1985-02-20 EP 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-11707066-B2 Disinfection formulation and disinfection method ODC1, CAT, PIGS FDPS 3571/4885PDE3A 859/4885THRA 1695/4885

“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.