SCHEMBL2862919

SCHEMBL2862919

CC(C)(C)OC(=O)CC1CCN(C(N)=S)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NR1H2 P55055 1/20 0.37
HPGD P15428 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL14146004 0.83 GLS (0.39) GLSKDM4EPKMNR1H2HPGD
SCHEMBL6608848 0.83 HPGD (0.53) GLSKDM4EPKMNR1H2HPGD
SCHEMBL8130203 0.81 PLA2G10 (0.35) GLSKDM4EPKMNR1H2HPGD
SCHEMBL23188104 0.80 MEN1 (0.42) GLSKDM4EPKMHPGDEPHX1
SCHEMBL38662703 0.79 HPGD (0.49) GLSKDM4EPKMNR1H2HPGD
SCHEMBL24280153 0.79 EPHX2 (0.42) GLSKDM4EPKMHPGDHRH3
SCHEMBL1932287 0.78 NR1H2 (0.41) NR1H2EPHX1
SCHEMBL31588543 0.77 NR1H2 (0.48) GLSKDM4EPKMNR1H2HPGD
SCHEMBL25957458 0.77 NR1H2 (0.48) GLSKDM4EPKMNR1H2HPGD
SCHEMBL31189316 0.77 NR1H2 (0.48) GLSKDM4EPKMNR1H2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
EP-1854793-A1 NOVEL AMINOPYRIDINE COMPOUND WITH Syk INHIBITORY ACTIVITY Japan Tobacco, Inc. (JP) 2007-11-14 EP disclosed
EP-1854793-A1 NOVEL AMINOPYRIDINE COMPOUND WITH Syk INHIBITORY ACTIVITY Japan Tobacco, Inc. (JP) 2007-11-14 EP disclosed
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC. (JP) 2006-09-14 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-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity SYK, BTK, ZAP70 GLS 3147/4885KDM4E 1122/4885PKM 3146/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 GLS 908/4885KDM4E 3751/4885PKM 584/4885

“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.