SCHEMBL5458450

SCHEMBL5458450

O=S(=O)([O-])CCNC1CCCCC1.[Na+]

nearest known ligand 0.50

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 19)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 2/20 0.50
CA1 known ✓ P00915 2/20 0.40
CA2 known ✓ P00918 1/20 0.38
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA9 Q16790 1/20 0.50
RAD52 P43351 1/20 0.37
CXCR4 P61073 5/20 0.37
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 3/20 0.36
BBOX1 O75936 1/20 0.36
CXCL12 P48061 1/20 0.36
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL3857079 0.89 CA12 (0.47) CA12CA7CA14CA9CA1
SCHEMBL28428673 0.87 CA12 (0.46) CA12CA7CA14CA9CA1
Potassium Ion SCHEMBL28435351 0.85 CA12 (0.42) CA12CA7CA14CA9CA1
Tetrapropylammonium SCHEMBL18575144 0.84 CA12 (0.36) CA12CA7CA14CA9CA1
Tetrapentylammonium SCHEMBL18575134 0.81 EPHX1 (0.39) CA12CA7CA14CA9BBOX1
Tetrabuthylammonium SCHEMBL18575138 0.81 EPHX1 (0.39) CA12CA7CA14CA9BBOX1
Water SCHEMBL28173239 0.78 CA12 (0.39) CA12CA7CA14CA9CA1
SCHEMBL18747671 0.78 KDM4E (0.42) CA12CA7CA14CA9CA1
SCHEMBL18747649 0.78 KDM4E (0.42) CA12CA7CA14CA9CA1
SCHEMBL18747702 0.78 KDM4E (0.42) CA12CA7CA14CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4611104-A1 NON-AQUEOUS ELECTROLYTE, SODIUM-ION BATTERY CONTAINING SAME, AND ELECTRICAL APPARATUS Contemporary Amperex Technology (Hong Kong) Limited (HK) 2025-09-03 EP claimed
US-20250219149-A1 NON-AQUEOUS ELECTROLYTE AND SODIUM-ION BATTERY AND ELECTRIC APPARATUS INCLUDING SUCH ELECTROLYTE CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2025-07-03 US claimed
WO-2024152146-A1 NON-AQUEOUS ELECTROLYTE, SODIUM-ION BATTERY CONTAINING SAME, AND ELECTRICAL APPARATUS 宁德时代新能源科技股份有限公司 2024-07-25 WO claimed
CN-116813509-A Synthesis method of sodium 2- (cyclohexylamine) ethanesulfonate 湖南恒飞生物医药股份有限公司 2023-09-29 CN claimed
CN-108264622-B Waterborne polyurethane, preparation intermediate and preparation method thereof 比亚迪股份有限公司 2020-06-19 CN claimed
WO-2025264733-A1 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME PERIMETER SOLUTIONS, LP (US) 2025-12-26 WO disclosed
EP-4611104-A1 NON-AQUEOUS ELECTROLYTE, SODIUM-ION BATTERY CONTAINING SAME, AND ELECTRICAL APPARATUS Contemporary Amperex Technology (Hong Kong) Limited (HK) 2025-09-03 EP disclosed
US-12398099-B2 Multi-aziridine compound COVESTRO (NETHERLANDS) B.V. (NL) 2025-08-26 US disclosed
US-20250219149-A1 NON-AQUEOUS ELECTROLYTE AND SODIUM-ION BATTERY AND ELECTRIC APPARATUS INCLUDING SUCH ELECTROLYTE CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2025-07-03 US disclosed
US-12281072-B2 Multi-aziridine compound COVESTRO (NETHERLANDS) B.V. (NL) 2025-04-22 US disclosed
CN-119144369-A Composite polyurea sulfonate lubricating grease and preparation method thereof 亚培烯科技(上海)有限公司 2024-12-17 CN disclosed
WO-2024213654-A1 GENTLE METHOD FOR PRODUCING TRANSPARENT BIOLOGICAL PREPARATIONS FOR EXAMINATION BY LIGHT MICROSCOPY GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS (UNIVERSITÄTSMEDIZIN) (DE) 2024-10-17 WO disclosed
WO-2016162784-A1 FIDUCIAL MARKER FOR USE IN STEREOTACTIC RADIOSURGERY AND PROCESS OF PRODUCTION FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-10-13 WO disclosed
EP-3017058-A1 PHOSPHORESCENCE-BASED HYDROGEN PEROXIDE ASSAY FOR THE DETECTION OF HYDROGEN PEROXIDE IN HUMAN SERUM AND WATER SAMPLES Universität Leipzig (DE) 2016-05-11 EP disclosed
WO-2015000910-A1 PHOSPHORESCENCE-BASED HYDROGEN PEROXIDE ASSAY FOR THE DETECTION OF HYDROGEN PEROXIDE IN HUMAN SERUM AND WATER SAMPLES UNIVERSITÄT LEIPZIG (DE) 2015-01-08 WO disclosed
US-20070269843-A1 Diagnostic Assays That Use Mycobacteriophages INTEGRATED RESEARCH TECHNOLOGY, LLC. 2007-11-22 US disclosed
WO-2005116243-A2 IMPROVEMENTS TO DIAGNOSTIC ASSAYS THAT USE MYCOBACTERIOPHAGES INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 2005-12-08 WO disclosed
EP-0594297-B1 Process for preparing fatty acid esters and amides of sulfonic acid salts RHONE POULENC SURFACTANTS (US) 1996-05-08 EP disclosed
EP-0594297-A1 Process for preparing fatty acid esters and amides of sulfonic acid salts RHONE-POULENC SURFACTANTS AND SPECIALTIES, L.P. (US) 1994-04-27 EP disclosed
US-5300665-A Heating mixture of fatty acid and/or ester and hydroxyalkyl-or aminoalkylsulfonate in presence of promoter in oxygen-free atmosphere while removing water or alcohol formed, distilling, cooling RHONE-POULENC SURFACTANTS AND SPECIALTIES, L.P. (US) 1994-04-05 US 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-12281072-B2 Multi-aziridine compound HRH3, QDPR, HRH4 CA12 1942/4885CA1 2307/4885CA2 2044/4885
US-12398099-B2 Multi-aziridine compound HRH3, QDPR, HRH4 CA12 2407/4885CA1 2633/4885CA2 2194/4885

“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.