SCHEMBL13200423

SCHEMBL13200423

CC(C)(C)OC(=O)CN1CCN(c2ccnc(-c3nc(=O)c4ccccc4s3)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
GABRA1 P14867 1/20 0.42
SCN9A Q15858 2/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
EP300 Q09472 2/20 0.36
DRD3 P35462 2/20 0.35
KCNH2 Q12809 2/20 0.35
DTYMK P23919 2/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SCD O00767 3/20 0.32
P2RY12 Q9H244 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL2952949 0.87 MIF (0.47) MIFGABRA1EP300DRD3KCNH2
SCHEMBL2949702 0.84 MIF (0.50) MIFGABRA1EP300DRD3KCNH2
SCHEMBL2962323 0.76 MIF (0.49) MIFGABRA1KDM4EALDH1A1MAPK1
SCHEMBL13200559 0.73 MIF (0.43) MIFGABRA1DTYMKKDM4EALDH1A1
SCHEMBL13200403 0.73 SCN9A (0.43) SCN9ASCN10AEP300DRD3KCNH2
SCHEMBL13217676 0.73 SCN9A (0.43) SCN9ASCN10ADRD3KCNH2PLA2G10
SCHEMBL13200405 0.72 SCN9A (0.49) SCN9ASCN10ADRD3KCNH2PLA2G10
SCHEMBL3588482 0.72 SCN9A (0.53) SCN9ASCN10ADRD3KCNH2PLA2G10
SCHEMBL2964496 0.72 MIF (0.51) MIFGABRA1KDM4EALDH1A1MEN1
SCHEMBL2962951 0.71 MIF (0.43) MIFGABRA1KDM4EALDH1A1P2RY12

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 6 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-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-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
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 MIF 1/4885GABRA1 3323/4885SCN9A 4635/4885

“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.