SCHEMBL13200416

SCHEMBL13200416

CC(C)(C)OC(=O)CN1CCN(c2cc[n+]([O-])cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
PLA2G10 O15496 2/20 0.38
PLA2G5 P39877 2/20 0.38
HDAC1 Q13547 6/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
KCNH2 Q12809 1/20 0.36
RAB9A P51151 1/20 0.35
S1PR1 P21453 1/20 0.34
EP300 Q09472 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
SCHEMBL3588482 0.86 SCN9A (0.53) SCN9ASCN10APLA2G10PLA2G5HDAC1
SCHEMBL13200405 0.84 SCN9A (0.49) SCN9ASCN10APLA2G10PLA2G5HDAC1
SCHEMBL6282329 0.78 PLA2G10 (0.47) SCN9ASCN10APLA2G10PLA2G5KDM4E
SCHEMBL13200430 0.75 RAB9A (0.43) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL13200403 0.73 SCN9A (0.43) SCN9ASCN10APLA2G10PLA2G5KDM4E
SCHEMBL13217676 0.73 SCN9A (0.43) SCN9ASCN10APLA2G10PLA2G5KDM4E
SCHEMBL8924696 0.72 EP300 (0.46) SCN9ASCN10APLA2G10PLA2G5KDM4E
SCHEMBL6283587 0.72 LMNA (0.48) SCN9ASCN10APLA2G10PLA2G5KDM4E
SCHEMBL3591635 0.72 PLA2G10 (0.49) SCN9ASCN10APLA2G10PLA2G5KDM4E
SCHEMBL766459 0.71 RBP4 (0.57) SCN9ASCN10AKDM4E

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 SCN9A 4635/4885SCN10A 2186/4885PLA2G10 4738/4885

“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.