SCHEMBL932213

SCHEMBL932213

CCCCn1cc[n+](C)c1.COCCS(=O)(=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
APAF1 O14727 1/20 0.52
NPC1 O15118 1/20 0.52
PLA2G1B P04054 1/20 0.52
HSP90AA1 P07900 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
FDPS P14324 16/20 0.38

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
SCHEMBL3954172 0.94 MEN1 (0.52) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL3954819 0.90 MEN1 (0.48) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL933301 0.88 MEN1 (0.51) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL2357881 0.88 MEN1 (0.59) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL7742082 0.88 MEN1 (0.59) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL933150 0.86 FDPS (0.38) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL5285827 0.86 MEN1 (0.65) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL4799143 0.86 MAPK1 (0.55) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL28478541 0.85 MEN1 (0.65) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL4023088 0.85 MEN1 (0.65) MEN1APAF1NPC1PLA2G1BHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772438-B2 Preparation of polyamides Invista North America S.är.l. (US) 2014-07-08 US claimed
US-20120264907-A1 PREPARATION OF POLYAMIDES INVISTA NORTH AMERICA S.A.R.L. (US) 2012-10-18 US claimed
EP-2451863-A1 PREPARATION OF POLYAMIDES Invista Technologies S.A R.L. (CH) 2012-05-16 EP claimed
WO-2011004138-A1 PREPARATION OF POLYAMIDES INVISTA TECHNOLOGIES S.A.R.L. (CH) 2011-01-13 WO claimed
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
US-8772438-B2 Preparation of polyamides Invista North America S.är.l. (US) 2014-07-08 US disclosed
US-20120264907-A1 PREPARATION OF POLYAMIDES INVISTA NORTH AMERICA S.A.R.L. (US) 2012-10-18 US disclosed
EP-2451863-A1 PREPARATION OF POLYAMIDES Invista Technologies S.A R.L. (CH) 2012-05-16 EP disclosed
WO-2011004138-A1 PREPARATION OF POLYAMIDES INVISTA TECHNOLOGIES S.A.R.L. (CH) 2011-01-13 WO disclosed
EP-2051788-A1 EXTRACTION PROCESS USING AN IONIC LIQUID Invista Technologies S.à.r.l. (CH) 2009-04-29 EP disclosed
US-7442841-B2 Extraction process INVISTA NORTH AMERICA S.A R.L. (US) 2008-10-28 US disclosed
US-20080051609-A1 EXTRACTION PROCESS INVISTA NORTH AMERICA S.A.R.L. (US) 2008-02-28 US disclosed
WO-2008022233-A1 EXTRACTION PROCESS USING AN IONIC LIQUID INVISTA TECHNOLOGIES S.A.R.L. (CH) 2008-02-21 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-20080051609-A1 EXTRACTION PROCESS ADH1C, ADH1A, ADH5 MEN1 3505/4885APAF1 3368/4885NPC1 1787/4885

“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.