SCHEMBL13199715

SCHEMBL13199715

CC(C)(C)OC(=O)CCc1cccc[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SLC2A1 P11166 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.33
PTPRC P08575 2/20 0.33
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4099172 0.80 KDM4E (0.32) ALDH1A1KDM4EKMT2AMTNR1AMTNR1B
SCHEMBL13199836 0.80 HDAC8 (0.35) ALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL5592420 0.79 NQO2 (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL4096845 0.77 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL30191387 0.76 CA2 (0.39) ALDH1A1KDM4ESLC2A1
SCHEMBL21978289 0.76 CA2 (0.39) ALDH1A1KDM4ESLC2A1
SCHEMBL21978288 0.76 CA2 (0.39) ALDH1A1KDM4ESLC2A1
SCHEMBL2952828 0.76 SLC2A1 (0.53) ALDH1A1KDM4ESLC2A1TDP1
SCHEMBL13199871 0.75 KDM4A (0.47) KDM4EL3MBTL1
SCHEMBL21994859 0.74 KMT2A (0.38) ALDH1A1KDM4EKMT2APTPRCL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 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 (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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 ALDH1A1 273/4885KDM4E 3627/4885SLC2A1 3343/4885

“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.