SCHEMBL34858

SCHEMBL34858

C[n+]1ccn(CCCCS(=O)(=O)O)c1.O=[N+]([O-])[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
HSP90AA1 P07900 2/20 0.49
KMT2A Q03164 2/20 0.49
APAF1 O14727 1/20 0.49
NPC1 O15118 1/20 0.49
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
FDPS P14324 14/20 0.37
LMNA P02545 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
SCHEMBL34495 0.93 SMN1; SMN2 (0.56) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Sulfuric Acid SCHEMBL12544525 0.91 SMN1; SMN2 (0.51) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Hydrochloric Acid SCHEMBL35021 0.91 SMN1; SMN2 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Bromide SCHEMBL34514 0.91 SMN1; SMN2 (0.58) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL34897 0.90 SMN1; SMN2 (0.50) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL16934856 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL34670 0.87 SMN1; SMN2 (0.50) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Hydrochloric Acid SCHEMBL18260148 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL34601 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Trifluoromethanesulfonic Acid SCHEMBL34312 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 2392/4885MEN1 1283/4885HSP90AA1 4752/4885
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid PDCD2L, PCCA, PDK2 SMN1; SMN2 2392/4885MEN1 1283/4885HSP90AA1 4752/4885

“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.