SCHEMBL11311

SCHEMBL11311

[O-][S+]1CCN(CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 5/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC18A3 Q16572 1/20 0.34
CYP2D6 P10635 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 1/20 0.32
DRD2 P14416 2/20 0.31

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
SCHEMBL10969 0.86 MEN1 (0.33) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL296412 0.86
SCHEMBL11133 0.84 HRH3 (0.36) ALDH1A1KDM4EHRH3
SCHEMBL423536 0.79
SCHEMBL295704 0.75
SCHEMBL357824 0.75
SCHEMBL12311431 0.75 DRD2 (0.36) DRD2DRD3SIGMAR1
SCHEMBL476371 0.75 ALOX15 (0.57) SIGMAR1
SCHEMBL3971866 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL13833159 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203457-B1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2014-03-05 EP disclosed
US-8357235-B2 Inkjet ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-22 US disclosed
US-8283005-B2 Inkjet recording medium and method of manufacturing the same FUJIFILM CORPORATION (JP) 2012-10-09 US disclosed
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed
US-8084106-B2 Inkjet recording medium and method of manufacturing the same FUJIFILM CORPORATION (JP) 2011-12-27 US disclosed
US-8067620-B2 Cis-adamantane-2-spiro-3'-8'-[4'-[2'-(4'-morpholinyl)ethoxy]phenyl]-1',2',4'-trioxaspiro[4.5]decane mesylate (OZ439); nonneurotoxic; pharmacokinetics; stability; oral absorption; bioavailability; anticarcinogenic agents; single-dose cure;antiprotozoan agents; parasiticides; schistosomiasis; MEDICINES FOR MALARIA VENTURE MMV (CH) 2011-11-29 US disclosed
US-20100242791-A1 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100231670-A1 SET FOR INK JET RECORDING, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-16 US disclosed
EP-2203457-A2 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines For Malaria Venture MMV (CH) 2010-07-07 EP disclosed
US-20100080908-A1 INK SET AND METHOD FOR FORMING IMAGE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
US-20090043081-A1 INK JET RECORDING SET AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-02-12 US disclosed
US-20080125411-A1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 US disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP disclosed
US-7217447-B2 Ink-jet recording sheet FUJIFILM CORPORATION (JP) 2007-05-15 US disclosed
EP-1709965-A2 Methods of treating cytokine mediate diseases Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-10-11 EP disclosed
US-6916814-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 US disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 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 (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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EGFR, KIT, ERBB2 ALDH1A1 3259/4885KDM4E 2562/4885KMT2A 755/4885
US-20080125411-A1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS DHODH, THPO, SQLE ALDH1A1 319/4885KDM4E 3438/4885KMT2A 3652/4885

“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.