SCHEMBL2953232

SCHEMBL2953232

O=C(O)CCc1cccc(-c2nc(=O)c3ccc(Cl)cc3s2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
RXRA P19793 6/20 0.38
RXRB P28702 6/20 0.38
RXRG P48443 5/20 0.38
MIF P14174 1/20 0.38
GABRA1 P14867 1/20 0.38
MCL1 Q07820 2/20 0.37
BCKDK O14874 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SLC22A12 Q96S37 2/20 0.36
NR4A2 P43354 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
MAOB P27338 1/20 0.35
ADORA1 P30542 1/20 0.35
GPR17 Q13304 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2952825 0.87 MIF (0.38) RXRARXRBRXRGMIFGABRA1
SCHEMBL2952932 0.87 MIF (0.38) HDAC6RXRARXRBRXRGMIF
SCHEMBL13964684 0.86 HDAC6 (0.45) HDAC6RXRARXRBRXRGMIF
SCHEMBL2958572 0.86 HDAC6 (0.45) HDAC6RXRARXRBRXRGMCL1
SCHEMBL2956546 0.85 MIF (0.53) HDAC6MIFGABRA1MCL1RXFP1
SCHEMBL3146975 0.85 MIF (0.33) HDAC6MIFGABRA1MCL1BCKDK
SCHEMBL2952820 0.84 CTSK (0.43) RXRARXRBRXRGMIFGABRA1
SCHEMBL2949707 0.84 ITGB3 (0.42) RXRARXRBRXFP1ADORA3MAOB
SCHEMBL4094643 0.83 HDAC6 (0.42) HDAC6RXRARXRBRXRGMCL1
SCHEMBL2952815 0.80 HDAC6 (0.45) HDAC6MIFGABRA1MCL1BCKDK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US claimed
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 HDAC6 623/4885RXRA 2766/4885RXRB 2762/4885

“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.