SCHEMBL219270

SCHEMBL219270

C=C(CCCCS(=O)(=O)O)C(=O)[O-].[Na+]

nearest known ligand 0.37

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 7)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.30
PDE4A known ✓ P27815 1/20 0.30
APP P05067 1/20 0.37
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL15901662 0.98 APP (0.35) APP
SCHEMBL10490320 0.98 APP (0.35) APP
Potassium Ion SCHEMBL444305 0.98 APP (0.38) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL17476621 0.96 APP (0.37) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL16010310 0.96 APP (0.37) APPPTGS1PDE4ALMNASLC6A6
Lithium Ion SCHEMBL10598662 0.96 APP (0.37) APPPTGS1PDE4ALMNASLC6A6
Potassium Ion SCHEMBL16010564 0.96 APP (0.37) APPPTGS1PDE4ALMNASLC6A6
Potassium Ion SCHEMBL16009057 0.96 APP (0.37) APPPTGS1PDE4ALMNASLC6A6
Potassium Ion SCHEMBL11801333 0.96 APP (0.37) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL11973834 0.96 APP (0.37) APPPTGS1PDE4ALMNASLC6A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250229117-A1 FIREFIGHTING COMPOSITION WITH QUATERNARY FUNCTIONAL COPOLYMER TYCO FIRE PRODUCTS LP (US) 2025-07-17 US claimed
CN-115117442-B Single ion gel polymer electrolyte, preparation and application thereof 华中科技大学 2024-10-22 CN claimed
CN-118663082-A Multilayer composite bionic structure oxygenation membrane and preparation method and application thereof 天津大学 2024-09-20 CN claimed
US-11866588-B2 Polymerizable near-IR dyes PROFUSA, INC. (US) 2024-01-09 US claimed
CN-117264131-A Polymer microsphere and preparation method thereof 苏州浩微生物医疗科技有限公司 2023-12-22 CN claimed
WO-2023144705-A1 FIREFIGHTING COMPOSITION WITH QUATERNARY FUNCTIONAL COPOLYMER TYCO FIRE PRODUCTS LP (US) 2023-08-03 WO claimed
US-20200140690-A1 POLYMERIZABLE NEAR-IR DYES PROFUSA, INC. (US) 2020-05-07 US claimed
EP-3558118-A1 POLYMERIZABLE NEAR-IR DYES Profusa, Inc. (US) 2019-10-30 EP claimed
WO-2018119204-A1 POLYMERIZABLE NEAR-IR DYES PROFUSA, INC. (US) 2018-06-28 WO claimed
US-20130317131-A1 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-11-28 US claimed
US-7470420-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-30 US claimed
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2008-12-11 US claimed
WO-2008137604-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2008-11-13 WO claimed
EP-1960779-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II The Regents of the University of California (US) 2008-08-27 EP claimed
WO-2007067743-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-14 WO claimed
US-20070056900-A1 Use of copolymers containing n-vinyl lactam for producing functionalized membranes BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
US-20060083688-A1 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-04-20 US claimed
US-5589324-A INTERPENETRATING POLYMER NETWORKS INTERNATIONAL PAPER COMPANY (US) 1996-12-31 US claimed
US-4792527-A Method of assaying biologically active substances and labelling agents therefor TORAY INDUSTRIES, INC. (JP) 1988-12-20 US claimed
US-3943223-A Method of manufacturing acrylic fibers KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-03-09 US claimed

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-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO PTGS1 3245/4885PDE4A 1750/4885APP 4020/4885
US-20060083688-A1 Optical determination of glucose utilizing boronic acid adducts NISCH, FOSB, BLVRB PTGS1 4477/4885PDE4A 4021/4885APP 3873/4885

“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.