SCHEMBL1111690

SCHEMBL1111690

CCn1cc[n+](C)c1.O=S(=O)([O-])CCCCF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
FDPS P14324 3/20 0.34
LMNA P02545 2/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
THPO P40225 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
SCHEMBL1992343 0.88 MEN1 (0.52) SMN1; SMN2MAPK1MEN1APAF1NPC1
SCHEMBL29996949 0.87 MEN1 (0.54) SMN1; SMN2MAPK1MEN1APAF1NPC1
SCHEMBL2356655 0.87 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1MEN1APAF1NPC1
SCHEMBL1111671 0.86 HTT (0.39) SMN1; SMN2MAPK1MEN1APAF1NPC1
SCHEMBL29720234 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1MEN1APAF1NPC1
SCHEMBL28886950 0.83 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1MEN1APAF1NPC1
SCHEMBL411942 0.83 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1MEN1APAF1NPC1
Sulfuric Acid SCHEMBL2325415 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1MEN1APAF1NPC1
SCHEMBL4363083 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1MEN1APAF1NPC1
Sulfuric Acid SCHEMBL1828230 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1MEN1APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP claimed
US-8642778-B2 Ionic liquids MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP disclosed
US-20110152537-A1 IONIC LIQUIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
EP-2279192-A2 IONIC LIQUIDS Merck Patent GmbH (DE) 2011-02-02 EP disclosed
WO-2009152902-A2 IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-12-23 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 (1 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-20110152537-A1 IONIC LIQUIDS HCN3, CHRNA3, CHRM3 SMN1; SMN2 1636/4885MAPK1 1533/4885MEN1 1351/4885

“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.