SCHEMBL439383

SCHEMBL439383

O=S(=O)(O)c1cc(N=C=S)ccc1C=Cc1ccc(N=C=S)cc1S(=O)(=O)O.[Na].[Na]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.97
RAD1 O60671 1/20 0.97
RAD51 Q06609 6/20 0.70
HSD17B10 Q99714 3/20 0.70
KDM4E B2RXH2 2/20 0.70
USP2 O75604 2/20 0.70
ALDH1A1 P00352 2/20 0.70
LTA P01374 2/20 0.70
CYP3A4 P08684 2/20 0.70
MAPT P10636 2/20 0.70
HPGD P15428 2/20 0.70
P2RX3 P56373 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
SENP2 Q9HC62 5/20 0.52
SENP1 Q9P0U3 5/20 0.52
SENP3 Q9H4L4 4/20 0.52
SUMO2 P61956 3/20 0.52
SUMO1 P63165 3/20 0.52
SENP7 Q9BQF6 3/20 0.52
CA1 P00915 1/20 0.44

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
SCHEMBL31481692 1.00 P2RY6 (0.97) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL2286120 1.00 P2RY6 (0.97) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL38212 0.98 P2RY6 (1.00) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL29351286 0.98 P2RY6 (1.00) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL29350628 0.98 P2RY6 (1.00) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL38213 0.98 P2RY6 (1.00) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL27168234 0.97 P2RY6 (0.97) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL15823889 0.97 P2RY6 (0.97) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL439381 0.97 P2RY6 (0.97) P2RY6RAD1RAD51HSD17B10KDM4E
SCHEMBL11231850 0.91 RAD1 (0.86) P2RY6RAD1RAD51HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297616-A1 GLUCONATE-BASED COMPOSITIONS AS A NEONATE ANTICONVULSANT The Penn State Research Foundation (US) 2018-03-28 EP claimed
US-9861597-B2 Gluconate-based compositions as a neonate anticonvulsant PENN STATE RESEARCH FOUNDATION (US) 2018-01-09 US claimed
WO-2016187228-A1 GLUCONATE-BASED COMPOSITIONS AS A NEONATE ANTICONVULSANT PENN STATE RESEARCH FOUNDATION (US) 2016-11-24 WO claimed
US-20160338980-A1 Gluconate-Based Compositions As A Neonate Anticonvulsant PENN STATE RESEARCH FOUNDATION 2016-11-24 US claimed
US-7238794-B2 Organic conductor FUJI XEROX CO., LTD. (JP) 2007-07-03 US claimed
US-20030170692-A1 Organic conductor FUJI XEROX CO., LTD. (JP) 2003-09-11 US claimed
EP-1324352-A2 Organic conductor FUJI XEROX CO., LTD. (JP) 2003-07-02 EP claimed
US-12427120-B2 Compositions comprising guaifenesin and flavour compounds containing an isovanillyl group SYMRISE AG (DE) 2025-09-30 US disclosed
US-20240382417-A1 Compositions Comprising Guaifenesin and Eriodictyol SYMRISE AG (DE) 2024-11-21 US disclosed
EP-4133263-B1 CAPILLARY GEL ELECTROPHORESIS AND ITS USE WITH COMPLEX BIOLOGICAL MOLECULES ARES TRADING SA (CH) 2024-05-22 EP disclosed
WO-2024094986-A1 METHOD OXFORD NANOPORE TECHNOLOGIES PLC (GB) 2024-05-10 WO disclosed
WO-2024089270-A2 PORE MONOMERS AND PORES OXFORD NANOPORE TECHNOLOGIES PLC (GB) 2024-05-02 WO disclosed
US-20240044865-A1 METHOD OF CHARACTERISING A TARGET POLYPEPTIDE USING A NANOPORE OXFORD NANOPORE TECHNOLOGIES PLC (GB) 2024-02-08 US disclosed
US-5419966-A Solid support for synthesis of 3'-tailed oligonucleotides MICROPROBE CORPORATION (US) 1995-05-30 US disclosed
EP-0463859-B1 Immobilization of biomolecules by enhanced electrophoretic precipitation LILLY CO ELI (US) 1995-05-17 EP disclosed
EP-0547142-A4 MICROPROBE CORP (US) 1995-01-18 EP disclosed
EP-0547142-A1 SOLID SUPPORT SYNTHESIS OF 3'-TAILED OLIGONUCLEOTIDES VIA A LINKING MOLECULE EPOCH PHARMACEUTICALS, INC. (US) 1993-06-23 EP disclosed
US-5166063-A IMMOBOLIZATION OF BIOMOLECULES BY ENHANCED ELECTROPHORETIC PRECIPITATION ELI LILLY AND COMPANY (US) 1992-11-24 US disclosed
WO-1992003464-A1 SOLID SUPPORT SYNTHESIS OF 3'-TAILED OLIGONUCLEOTIDES VIA A LINKING MOLECULE MICROPROBE CORPORATION (US) 1992-03-05 WO disclosed
EP-0463859-A2 Immobilization of biomolecules by enhanced electrophoretic precipitation ELI LILLY AND COMPANY (US) 1992-01-02 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 (4 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-20240382417-A1 Compositions Comprising Guaifenesin and Eriodictyol ERLIN1, TAS2R38, TAS2R39 P2RY6 1369/4885RAD1 4848/4885RAD51 4429/4885
US-12427120-B2 Compositions comprising guaifenesin and flavour compounds containing an isovanillyl group TAS1R1, TAS2R40, TAS2R5 P2RY6 348/4885RAD1 4882/4885RAD51 4659/4885
US-20160338980-A1 Gluconate-Based Compositions As A Neonate Anticonvulsant KCNN3, KCNN2, KCNN1 P2RY6 951/4885RAD1 4538/4885RAD51 4859/4885
US-20030170692-A1 Organic conductor DNMT1, DNMT3A, POLN P2RY6 1326/4885RAD1 1509/4885RAD51 932/4885

“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.