SCHEMBL2804176

SCHEMBL2804176

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
HSP90AA1 P07900 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
APAF1 O14727 1/20 0.58
NPC1 O15118 1/20 0.58
PLA2G1B P04054 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
FDPS P14324 17/20 0.41

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
Sulfuric Acid SCHEMBL582395 0.92 MEN1 (0.63) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL27783819 0.91 MEN1 (0.61) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL2993814 0.89 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL28980890 0.89 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL27783818 0.89 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL28130835 0.89 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL28449063 0.89 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL28653447 0.88 MEN1 (0.71) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5285827 0.88 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL294165 0.88 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100239524-A1 MICROPARTICLES PREPARED USING AN IONIC LIQUID NOVARTIS AG (CH) 2010-09-23 US claimed
US-20060147532-A1 Microparticles prepared using an ionic liquid AUSBORN MICHAEL 2006-07-06 US claimed
EP-1569621-A1 MICROPARTICLES PREPARED USING AN IONIC LIQUID Novartis AG (CH) 2005-09-07 EP claimed
WO-2004052340-A1 MICROPARTICLES PREPARED USING AN IONIC LIQUID NOVARTIS AG (CH) 2004-06-24 WO claimed
EP-2593403-B1 METHOD FOR PRODUCING A GEL FILM AND FILTRATION MEMBRANE PREPARED WITH THIS METHOD UNIV MONASH (AU) 2020-03-04 EP disclosed
US-10297396-B2 Graphene-based films MONASH UNIVERSITY (AU) 2019-05-21 US disclosed
US-9751763-B2 Material and applications therefor MONASH UNIVERSITY (AU) 2017-09-05 US disclosed
US-20160016804-A1 GRAPHENE-BASED FILMS MONASH UNIVERSITY (AU) 2016-01-21 US disclosed
US-20130180912-A1 MATERIAL AND APPLICATIONS THEREFOR MONASH UNIVERSITY (AU) 2013-07-18 US disclosed
US-8276664-B2 Well treatment operations using spherical cellulosic particulates BAKER HUGHES INCORPORATED (US) 2012-10-02 US disclosed
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES LOHSE OLIVIER (FR) 2012-08-30 US disclosed
US-20100239524-A1 MICROPARTICLES PREPARED USING AN IONIC LIQUID NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7605267-B2 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2009-10-20 US disclosed
US-20090044942-A1 Cellulosic Particulates and Method of Manufacture and Use Thereof BJ SERVICES COMPANY 2009-02-19 US disclosed
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2006-08-24 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 (4 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-20100239524-A1 MICROPARTICLES PREPARED USING AN IONIC LIQUID FIBP, MIF, CHMP4B MEN1 1303/4885HSP90AA1 2183/4885KMT2A 4402/4885
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES OPRM1, OPRD1, HAX1 MEN1 3029/4885HSP90AA1 2920/4885KMT2A 279/4885
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones UGT8, KAT8, UGT1A8 MEN1 3671/4885HSP90AA1 470/4885KMT2A 418/4885
US-20060147532-A1 Microparticles prepared using an ionic liquid FIBP, MIF, CHMP4B MEN1 1303/4885HSP90AA1 2183/4885KMT2A 4402/4885

“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.