SCHEMBL34197

SCHEMBL34197

Cc1ccc(S(=O)(=O)[O-])cc1.O=S(=O)(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 2/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
CYP2D6 P10635 3/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 2/20 0.36
THPO P40225 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CA12 O43570 1/20 0.35
ATM Q13315 1/20 0.35
CA9 Q16790 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2230521 0.96 ALDH1A1 (0.38) TRAP1ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL34778 0.86 HIF1A (0.42) TRAP1ALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL9634534 0.84 HIF1A (0.52) ALDH1A1CYP3A4CYP2C19CYP2C9RECQL
SCHEMBL9675753 0.84 NR1I2 (0.48) TRAP1ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL9634519 0.84 NR1I2 (0.48) TRAP1ALDH1A1CYP3A4CYP2C19CYP2C9
Butyltriphenylphosphonium SCHEMBL6928248 0.83 CNR2 (0.45) TRAP1ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL35255 0.82 HIF1A (0.44) TRAP1ALDH1A1CYP2C19CYP2D6CYP1A2
Sulfuric Acid SCHEMBL30331189 0.81 HIF1A (0.47) TRAP1ALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL10484490 0.80 HIF1A (0.43) ALDH1A1CYP3A4CYP2C19RECQLCYP2D6
Trifluoromethanesulfonic Acid SCHEMBL34640 0.80 ALDH1A1 (0.39) TRAP1ALDH1A1CYP2C19CYP2D6CYP1A2

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 TRAP1 4819/4885ALDH1A1 717/4885CYP3A4 1616/4885
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid PDCD2L, PCCA, PDK2 TRAP1 4819/4885ALDH1A1 717/4885CYP3A4 1616/4885

“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.