SCHEMBL646925

SCHEMBL646925

[Na+].[Na+].[O-]B([O-])Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.36

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 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
CES2 O00748 1/20 0.35
SOD1 P00441 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
TDO2 P48775 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
Lithium Ion SCHEMBL29870237 0.96 IDO1 (0.36) IDO1CES2SOD1ALDH1A1CYP3A4
SCHEMBL473195 0.79 IDO1 (0.40) IDO1CES2SOD1ALDH1A1TSHR
SCHEMBL7103577 0.78 CA1 (0.42) IDO1CES2ALDH1A1TSHR
Silver SCHEMBL30700904 0.78 CES2 (0.36) IDO1CES2SOD1ALDH1A1CYP3A4
SCHEMBL466921 0.76 CES2 (0.41) IDO1CES2SOD1TDO2
SCHEMBL4444280 0.76 CES2 (0.41) IDO1CES2SOD1
SCHEMBL23633171 0.74 CES2 (0.40) IDO1CES2SOD1TDO2
Boric Acid SCHEMBL28948760 0.74 CES2 (0.40) IDO1CES2SOD1TDO2
SCHEMBL30473264 0.74 CES2 (0.45) IDO1CES2SOD1TDO2
SCHEMBL27531891 0.74 CES2 (0.40) IDO1CES2SOD1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440121-A Ruthenium complex, synthesis method and application 西湖大学 2024-08-06 CN claimed
CN-115160458-A Catalyst suitable for producing polyolefin with superfine grain diameter and preparation method thereof 上海欣鑫化工有限公司 2022-10-11 CN claimed
EP-0221508-B1 Sodium ion selective electrode HITACHI LTD (JP) 1994-01-26 EP claimed
US-12577264-B2 Borate compound-containing composition AGC Inc. (JP) 2026-03-17 US disclosed
US-20260056161-A1 THIN LAYER TYPE ELECTROCHEMICAL SYSTEM INCLUDING SALT BRIDGE AND ELECTROCHEMICAL ANALYSIS METHOD USING THE SAME SEOUL NAT UNIV R&DB FOUNDATION (KR) 2026-02-26 US disclosed
EP-4627333-A2 MONOVALENT ION SELECTIVE ELECTRODE SENSORS, MEMBRANE COMPOSITIONS, AND METHODS TO REDUCE BENZALKONIUM INTERFERENCE FOR DIAGNOSTIC ANALYZERS Siemens Healthcare Diagnostics, Inc. (US) 2025-10-08 EP disclosed
WO-2025178904-A1 BIOSENSOR FOR THE IN VIVO MONITORING OF ANALYTES PROTON INTELLIGENCE INC. (CA) 2025-08-28 WO disclosed
US-20250264436-A1 ION-SELECTIVE MEMBRANE, ION-SELECTIVE ELECTRODE, ION SENSOR, AND SPECIMEN TESTING DEVICE CANON MEDICAL SYSTEMS CORPORATION (JP) 2025-08-21 US disclosed
US-20250241560-A1 COMPOSITIONS AND METHODS FOR MEASURING OSMOLARITY ARKANSAS STATE UNIV – JONESBORO (US) 2025-07-31 US disclosed
US-12345673-B2 Metal-organic frameworks as ion capture compositions TRUSTEES OF DARTMOUTH COLLEGE (US) 2025-07-01 US disclosed
CN-119198851-B Anti-pollution electrochemical sensor based on cyclopeptide and preparation method and application thereof 青岛科技大学 2025-06-03 CN disclosed
US-11486850-B2 Metal-organic frameworks as ion-to-electron transducers and detectors TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-11-01 US disclosed
CN-115160458-A Catalyst suitable for producing polyolefin with superfine grain diameter and preparation method thereof 上海欣鑫化工有限公司 2022-10-11 CN disclosed
EP-4059069-A1 REFERENCE ELECTRODES INCLUDING SILICONE-CONTAINING POLYMER AND IONIC LIQUID Regents of the University of Minnesota (US) 2022-09-21 EP disclosed
US-20220268728-A1 EXTENSIBLE, MULTIMODAL SENSOR FUSION PLATFORM FOR REMOTE, PROXIMAL TERRAIN SENSING Teralytic, Inc. (US) 2022-08-25 US disclosed
WO-2022131230-A1 NOVEL BORATE COMPOUND AGC株式会社 2022-06-23 WO disclosed
US-11307165-B2 Electrochemical sensors with a chemically attached molecular redox buffer REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-04-19 US disclosed
CN-110243909-B Fixed connection type self-plasticizing polymer film lead ion selective electrode based on multi-wall carbon nano tube 华东理工大学 2022-02-11 CN disclosed
US-8120774-B2 Evanescent wave multimode optical waveguide sensitive to a chemical species and/or a physical parameter and provided with continuous redistribution of optical power between the modes INSTITUT NATIONAL D'OPTIQUE (CA) 2012-02-21 US disclosed
US-20110091150-A1 EVANESCENT WAVE MULTIMODE OPTICAL WAVEGUIDE AND SENSOR WITH CONTINUOUS REDISTRIBUTION OF OPTICAL POWER BETWEEN THE MODES INSTITUT NATIONAL D'OPTIQUE (CA) 2011-04-21 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-20260056161-A1 THIN LAYER TYPE ELECTROCHEMICAL SYSTEM INCLUDING SALT BRIDGE AND ELECTROCHEMICAL ANALYSIS METHOD USING THE SAME SLC9A2, SLC9A3, SLC9A1 IDO1 4459/4885CES2 1107/4885SOD1 1725/4885
US-12577264-B2 Borate compound-containing composition AFF1, RFC1, RFC3 IDO1 2796/4885CES2 2904/4885SOD1 4550/4885

“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.