SCHEMBL1839692

SCHEMBL1839692

CC[n+]1c(C)oc2ccccc21.N#Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ABCB1 P08183 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 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
SCHEMBL1833906 0.86 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL1825184 0.82 KDM4E (0.36) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL1046351 0.77 MEN1 (0.48) KDM4EMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL1824918 0.76 MEN1 (0.47) KDM4EMEN1KMT2AALDH1A1LMNA
Iodide SCHEMBL1776694 0.76 MEN1 (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
Iodide SCHEMBL5688350 0.73 PTPN2 (0.35) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL9864664 0.72 LMNA (0.39) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4347564 0.72 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL8868764 0.72 MAPT (0.42) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL1833908 0.72 KDM4E (0.38) KDM4EMEN1KMT2AALDH1A1LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684698-B1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES CO (US) 2013-10-02 EP disclosed
EP-1668039-B1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES CO (US) 2012-12-05 EP disclosed
EP-1668038-B1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M INNOVATIVE PROPERTIES CO (US) 2011-05-04 EP disclosed
US-7732633-B2 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-06-08 US disclosed
US-20090203904-A1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES COMPANY 2009-08-13 US disclosed
US-7541389-B2 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-06-02 US disclosed
US-7465758-B2 Dental compositions and methods with arylsulfinate salts 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-12-16 US disclosed
EP-1663115-B1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7329692-B2 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-02-12 US disclosed
US-20080014560-A1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS 3M INNOVATIVE PROPERTIES COMPANY 2008-01-17 US disclosed
US-7030169-B2 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-18 US disclosed
US-7026367-B2 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-11 US disclosed
WO-2005034885-A1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
WO-2005034884-A1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
WO-2005035590-A1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
WO-2005035591-A1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
US-20050070624-A1 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
US-20050070622-A1 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
US-20050070621-A1 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
US-20050070627-A1 Dental compositions and methods with arylsulfinate salts 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 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-20080014560-A1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS ARSA, EPN1, SUDS3 KDM4E 1994/4885MEN1 4783/4885KMT2A 1415/4885
US-20090203904-A1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS TST, ARSA, MPST KDM4E 3774/4885MEN1 4708/4885KMT2A 2957/4885

“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.