SCHEMBL34254

SCHEMBL34254

CC([S+]([O-])c1ccccc1)[S+]([O-])c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
RIPK1 Q13546 1/20 0.31
TAAR1 Q96RJ0 4/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
MAOA P21397 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
ADRA2C P18825 2/20 0.30
ADRA2B P18089 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL777881 0.84 TDP1 (0.33) TDP1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL16363530 0.84 TDP1 (0.33) TDP1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11760283 0.80 TAAR1 (0.31) TDP1TAAR1
SCHEMBL8107422 0.80 TSHR (0.35) TDP1TSHR
SCHEMBL778395 0.80 TDP1 (0.31) TDP1
SCHEMBL6911929 0.78 MIF (0.38) TAAR1LMNAADRA2CADRA2ACYP2D6
SCHEMBL14094187 0.77 LMNA (0.35) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL11758712 0.77 MAP2K7 (0.31)
SCHEMBL10768062 0.75
SCHEMBL10404095 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317535-A Silicone-modified polyimides resin combination 信越化学工业株式会社 2019-10-11 CN disclosed
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
EP-2352737-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYL COMPOUNDS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 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
WO-2010051887-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYL COMPOUNDS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 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 TDP1 4171/4885RIPK1 2050/4885TAAR1 4287/4885
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid PDCD2L, PCCA, PDK2 TDP1 4171/4885RIPK1 2050/4885TAAR1 4287/4885

“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.