SCHEMBL34626

SCHEMBL34626

CCn1cc[n+](CCCCS(=O)(=O)O)c1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.36
FDPS P14324 2/20 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
SCHEMBL34910 0.90 KDM4E (0.43) KDM4EALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL34909 0.88 KDM4E (0.43) KDM4EALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL2295676 0.87 KDM4E (0.47) KDM4EALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL34809 0.86 ALDH1A1 (0.40) KDM4EALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL34271 0.85 FDPS (0.40) KDM4EALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL34835 0.85 FDPS (0.40) KDM4EMEN1KMT2AFDPS
SCHEMBL34625 0.84 HTT (0.38) MEN1KMT2AHTTFDPS
Hydrochloric Acid SCHEMBL34819 0.84 FDPS (0.40) KDM4EMEN1KMT2AFDPS
SCHEMBL16245999 0.82 ALDH1A1 (0.39) KDM4EALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL34668 0.81 FDPS (0.41) MEN1KMT2AFDPS

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 KDM4E 1022/4885ALDH1A1 717/4885MEN1 1283/4885
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid PDCD2L, PCCA, PDK2 KDM4E 1022/4885ALDH1A1 717/4885MEN1 1283/4885

“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.