SCHEMBL989047

SCHEMBL989047

CS(=O)(=O)[O-].C[N+](C)(CCO)CCO

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.31
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GRK2 P25098 2/20 0.47
APAF1 O14727 1/20 0.47
DNMT1 P26358 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
PPP1CA P62136 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
DNM1 Q05193 2/20 0.44
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
BBOX1 O75936 2/20 0.37
PSMD14 O00487 1/20 0.34

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
Sulfuric Acid SCHEMBL2103287 0.92 POLB (0.49) POLBL3MBTL1GRK2APAF1DNMT1
Sulfuric Acid SCHEMBL2913751 0.90 POLB (0.47) POLBL3MBTL1GRK2APAF1DNMT1
SCHEMBL28323005 0.88 BBOX1 (0.52) POLBL3MBTL1GRK2APAF1DNMT1
SCHEMBL989048 0.86 DNM1 (0.46) POLBL3MBTL1GRK2APAF1DNMT1
SCHEMBL1294496 0.84 MEN1 (0.39) POLBL3MBTL1GRK2APAF1DNMT1
Choline SCHEMBL15527809 0.84 MEN1 (0.60) POLBL3MBTL1GRK2APAF1DNMT1
SCHEMBL4611912 0.84 DNM1 (0.74) DNM1KMT2APSMD14PLA2G1BHSP90AA1
SCHEMBL2921089 0.83 POLB (0.44) POLBL3MBTL1GRK2APAF1DNMT1
Trifluoromethanesulfonic Acid SCHEMBL2921141 0.81 POLB (0.46) POLBL3MBTL1GRK2APAF1DNMT1
Sulfuric Acid SCHEMBL27753589 0.80 BBOX1 (0.54) POLBL3MBTL1GRK2APAF1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893716-B1 NOVEL WORKING MEDIA FOR REFRIGERATION PROCESSES EVONIK DEGUSSA GMBH (DE) 2016-07-13 EP claimed
US-20100095703-A1 Novel Working Media for Refrigeration Processes EVONIK DEGUSSA GMBH (DE) 2010-04-22 US claimed
EP-1893716-A1 NOVEL WORKING MEDIA FOR REFRIGERATION PROCESSES Evonik Degussa GmbH (DE) 2008-03-05 EP claimed
WO-2006134015-A1 NOVEL WORKING MEDIA FOR REFRIGERATION PROCESSES EVONIK DEGUSSA GMBH (DE) 2006-12-21 WO claimed
US-12630663-B2 Aqueous polyurethane resin dispersion AGFA NV (BE) 2026-05-19 US disclosed
EP-3717534-B1 AQUEOUS POLYURETHANE RESIN DISPERSION AGFA NV (BE) 2024-05-08 EP disclosed
EP-4165097-B1 AQUEOUS POLYURETHANE RESIN DISPERSION AGFA NV (BE) 2024-03-20 EP disclosed
US-11802205-B2 Aqueous polyurethane resin dispersion AGFA NV (BE) 2023-10-31 US disclosed
US-20230220145-A1 Aqueous Polyurethane Resin Dispersion AGFA NV (BE) 2023-07-13 US disclosed
EP-4165097-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AGFA NV (BE) 2023-04-19 EP disclosed
US-11585196-B2 Methods of using energized well treating fluids BAKER HUGHES OILFIELD OPERATIONS LLC (US) 2023-02-21 US disclosed
CN-115667339-A Aqueous polyurethane resin dispersion 爱克发有限公司 2023-01-31 CN disclosed
US-20100016205-A1 USE OF IONIC LIQUIDS AS AN ADDITIVE FOR CLEANING PROCESSES IN LIQUEFIED AND/OR SUPERCRITICAL GAS EVONIK GOLDSCHMIDT GMBH (DE) 2010-01-21 US disclosed
EP-2093278-A1 Performance additive for improving the sprinkling characteristics of ionic fluids on solid surfaces Evonik Goldschmidt GmbH (DE) 2009-08-26 EP disclosed
WO-2009097930-A2 METHOD FOR ABSORBING A VOLATILE SUBSTANCE IN A LIQUID ABSORPTION AGENT EVONIK DEGUSSA GMBH (DE) 2009-08-13 WO disclosed
EP-2087930-A1 Method for the absorption of volatile material in a fluid absorption agent Evonik Degussa GmbH (DE) 2009-08-12 EP disclosed
EP-2087931-A2 Defoaming of ionic fluids Evonik Goldschmidt GmbH (DE) 2009-08-12 EP disclosed
US-20090036334-A1 USE OF IONIC LIQUIDS FOR THE LUBRICATION OF COMPONENTS IN WIND POWER PLANTS EVONIK GOLDSCHMIDT GMBH (DE) 2009-02-05 US disclosed
EP-1893716-A1 NOVEL WORKING MEDIA FOR REFRIGERATION PROCESSES Evonik Degussa GmbH (DE) 2008-03-05 EP disclosed
WO-2006134015-A1 NOVEL WORKING MEDIA FOR REFRIGERATION PROCESSES EVONIK DEGUSSA GMBH (DE) 2006-12-21 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 (1 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-12630663-B2 Aqueous polyurethane resin dispersion PUF60, PCMT1, EED SLC6A4 2792/4885POLB 2839/4885L3MBTL1 769/4885

“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.