SCHEMBL34596

SCHEMBL34596

CCCC[n+]1ccn(CCCCS(=O)(=O)O)c1.CS(=O)(=O)[O-]

nearest known ligand 0.47

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 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FDPS P14324 19/20 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
SCHEMBL34725 0.96 MEN1 (0.45) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL34597 0.95 FDPS (0.45) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL34146 0.95 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL34726 0.94 FDPS (0.46) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL13161377 0.91 MEN1 (0.49) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Trifluoromethanesulfonic Acid SCHEMBL34574 0.90 MEN1 (0.43) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL31167993 0.90 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL34147 0.89 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL17817517 0.88 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL34270 0.88 MEN1 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473277-B1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION OR ACID-FUNCTIONALIZED IONIC LIQUID UNIV DENMARK TECH DTU (DK) 2019-07-03 EP disclosed
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid UNIV DENMARK TECH DTU (DK) 2017-11-30 US disclosed
EP-2473277-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALIZED IONIC LIQUID Technical University of Denmark (DK) 2012-07-11 EP disclosed
US-20110065950-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID TECHNICAL UNIVERSITY OF DENMARK (DK) 2011-03-17 US disclosed
WO-2011026860-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALIZED IONIC LIQUID TECHNICAL UNIVERISTY OF DENMARK (DK) 2011-03-10 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-20110065950-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID PDCD2L, PCCA, PDK2 MEN1 1283/4885HSP90AA1 4752/4885KMT2A 956/4885
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid PDCD2L, PCCA, PDK2 MEN1 1283/4885HSP90AA1 4752/4885KMT2A 956/4885

“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.