SCHEMBL3947403

SCHEMBL3947403

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
FDPS P14324 3/20 0.34
LMNA P02545 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
SCHEMBL933150 0.87 FDPS (0.38) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL933301 0.87 MEN1 (0.51) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL28886950 0.83 SMN1; SMN2 (0.44) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL411942 0.83 SMN1; SMN2 (0.44) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Sulfuric Acid SCHEMBL2325415 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2356655 0.81 SMN1; SMN2 (0.49) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL295578 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Sulfuric Acid SCHEMBL1828230 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL1111589 0.79 MEN1 (0.49) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL295025 0.79 SMN1; SMN2 (0.39) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051788-A1 EXTRACTION PROCESS USING AN IONIC LIQUID Invista Technologies S.à.r.l. (CH) 2009-04-29 EP claimed
US-7442841-B2 Extraction process INVISTA NORTH AMERICA S.A R.L. (US) 2008-10-28 US claimed
US-20080051609-A1 EXTRACTION PROCESS INVISTA NORTH AMERICA S.A.R.L. (US) 2008-02-28 US claimed
WO-2008022233-A1 EXTRACTION PROCESS USING AN IONIC LIQUID INVISTA TECHNOLOGIES S.A.R.L. (CH) 2008-02-21 WO claimed

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-20080051609-A1 EXTRACTION PROCESS ADH1C, ADH1A, ADH5 SMN1; SMN2 3908/4885MEN1 3505/4885APAF1 3368/4885

“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.