SCHEMBL1715040

SCHEMBL1715040

CCCCCCn1cc[n+](C)c1.CS(=O)(=O)[O-]

nearest known ligand 0.76

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.76
HSP90AA1 P07900 2/20 0.76
KMT2A Q03164 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
APAF1 O14727 1/20 0.76
NPC1 O15118 1/20 0.76
PLA2G1B P04054 1/20 0.76
MAPT P10636 1/20 0.76
MAPK1 P28482 1/20 0.76
HTT P42858 1/20 0.76
RAB9A P51151 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
ATG4B Q9Y4P1 1/20 0.76
FDPS P14324 17/20 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
SCHEMBL13517068 1.00 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL15170122 1.00 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL15170313 0.98 MEN1 (0.73) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL31650730 0.95 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL31650675 0.95 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL21195046 0.94 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1716024 0.94 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL294165 0.94 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL18112162 0.92 MEN1 (0.73) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL1293534 0.92 MEN1 (0.73) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126848-B2 Synthesis of nanoparticles by means of ionic liquids Leibniz-Insitut fuer Neue Materialien gemeinnuetzige GmbH (DE) 2015-09-08 US claimed
CN-113797767-B Preparation method of carbon nanotube-ionic liquid-derived cellulose composite membrane and composite sheet 四川大学 2022-10-28 CN disclosed
US-11312852-B2 Method for preparing graft copolymer complex, graft copolymer complex, and thermoplastic resin composition comprising graft copolymer complex LG CHEM, LTD. (KR) 2022-04-26 US disclosed
WO-2022030552-A1 ELECTRODE CATALYST FOR FUEL CELLS, AND FUEL CELL 東京都公立大学法人 2022-02-10 WO disclosed
CN-110198962-B Method for preparing graft copolymer composite, and thermoplastic resin composition comprising the same 株式会社LG化学 2022-01-07 CN disclosed
CN-113797767-A Preparation method of carbon nanotube-ionic liquid-derived cellulose composite membrane and composite sheet 四川大学 2021-12-17 CN disclosed
CN-109415452-B Method for producing highly reactive isobutene homo-or copolymers 巴斯夫欧洲公司 2021-10-26 CN disclosed
EP-3533810-B1 METHOD FOR PREPARING GRAFT COPOLYMER COMPLEX, GRAFT COPOLYMER COMPLEX, AND THERMOPLASTIC RESIN COMPOSITION COMPRISING THE GRAFT COPOLYMER COMPLEX LG CHEMICAL LTD (KR) 2021-04-21 EP disclosed
US-10975175-B2 Process for preparing high-reactivity isobutene homo- or copolymers BASF SE (DE) 2021-04-13 US disclosed
EP-3487891-B1 PROCESS FOR PREPARING HIGH-REACTIVITY ISOBUTENE HOMO- OR COPOLYMERS BASF SE (DE) 2020-04-29 EP disclosed
US-9062266-B2 Imidazolium salts as additives for fuels BASF SE (DE) 2015-06-23 US disclosed
EP-2812418-A1 IMIDAZOLIUM SALTS AS ADDITIVES FOR FUELS AND COMBUSTIBLES BASF SE (DE) 2014-12-17 EP disclosed
US-20130205654-A1 IMIDAZOLIUM SALTS AS ADDITIVES FOR FUELS BASF SE (DE) 2013-08-15 US disclosed
WO-2013117616-A1 IMIDAZOLIUM SALTS AS ADDITIVES FOR FUELS AND COMBUSTIBLES BASF SE (DE) 2013-08-15 WO disclosed
US-20120275991-A1 Synthesis of Nanoparticles by Means of Ionic Liquids LEIBNIZ-INSTITUT FUER NEUE MATERIALIEN GEMEINNUETZIGE GMBH (DE) 2012-11-01 US disclosed
EP-1902004-B1 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2012-01-18 EP disclosed
US-7999111-B2 Reacting an onium halide or carboxylate with a symmetrically substituted dialkyl sulfite or with an asymmetrically substituted dialkyl sulfite; 1-hexyl-3-methylimidazolium chloride and dimethyl sulfite; 1-Hexyl-3-methylimidazolium methanesulfonate MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-16 US disclosed
US-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates MERCK PATENT GESELLSCHAFT (DE) 2008-09-11 US disclosed
EP-1902004-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD Merck Patent GmbH (DE) 2008-03-26 EP disclosed
WO-2007006387-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2007-01-18 WO 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-20120275991-A1 Synthesis of Nanoparticles by Means of Ionic Liquids NCL, PML, TTR MEN1 1824/4885HSP90AA1 2728/4885KMT2A 4039/4885
US-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates STS, ARSA, AGPS MEN1 2719/4885HSP90AA1 3605/4885KMT2A 2089/4885

“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.