SCHEMBL2964037

SCHEMBL2964037

CCOC(=O)C(C)Cc1ccnc(-c2nc(=O)c3ccccc3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.49
MIF P14174 1/20 0.49
ALDH1A1 P00352 6/20 0.39
LMNA P02545 5/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39

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
SCHEMBL2959283 0.81 GABRA1 (0.46) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL2958485 0.81 GABRA1 (0.54) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL1005009 0.76 MIF (0.56) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL2954015 0.76 MIF (0.53) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL2956496 0.76 MIF (0.53) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL2952687 0.75 GABRA1 (0.50) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL2954404 0.75 MIF (0.55) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL2962773 0.75 MIF (0.68) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL2962323 0.74 MIF (0.49) GABRA1MIFALDH1A1LMNAKDM4E
SCHEMBL13199892 0.74 MIF (0.60) GABRA1MIFALDH1A1LMNAKDM4E

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 10 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-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-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
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP 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 GABRA1 3323/4885MIF 1/4885ALDH1A1 273/4885

“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.