SCHEMBL34808

SCHEMBL34808

C[n+]1ccn(CCCCS(=O)(=O)O)c1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.42

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
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TERT O14746 1/20 0.34
LMNA P02545 2/20 0.34
HTR1A P08908 1/20 0.33

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
SCHEMBL16934931 0.96 HTT (0.42) HTTSMN1; SMN2MAPTMAPK1MEN1
SCHEMBL34625 0.86 HTT (0.38) HTTSMN1; SMN2MEN1HSP90AA1KMT2A
Sulfuric Acid SCHEMBL12544525 0.86 SMN1; SMN2 (0.51) HTTSMN1; SMN2MAPTMAPK1MEN1
SCHEMBL7195915 0.85 HTT (0.61) HTTSMN1; SMN2MAPTMAPK1MEN1
SCHEMBL2513610 0.85 HTT (0.61) HTTSMN1; SMN2MAPTMAPK1MEN1
SCHEMBL14720371 0.85 HTT (0.61) HTTSMN1; SMN2MAPTMAPK1MEN1
SCHEMBL2230708 0.85 HTT (0.52) HTTSMN1; SMN2MAPTMAPK1MEN1
SCHEMBL34897 0.85 SMN1; SMN2 (0.50) HTTSMN1; SMN2MAPTMAPK1MEN1
SCHEMBL34495 0.84 SMN1; SMN2 (0.56) HTTSMN1; SMN2MAPTMAPK1MEN1
Lithium SCHEMBL30985259 0.84 HTT (0.51) HTTSMN1; SMN2MAPTMAPK1MEN1

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 3 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
US-20110065950-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID TECHNICAL UNIVERSITY OF DENMARK (DK) 2011-03-17 US 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 HTT 4211/4885SMN1; SMN2 2392/4885MAPT 3664/4885
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid PDCD2L, PCCA, PDK2 HTT 4211/4885SMN1; SMN2 2392/4885MAPT 3664/4885

“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.