SCHEMBL2953239

SCHEMBL2953239

CN(C(=O)c1cccs1)c1cccc(-c2nc(=O)c3ccccc3s2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.46
GABRA1 P14867 1/20 0.46
NPSR1 Q6W5P4 5/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KMT2A Q03164 7/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 6/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 5/20 0.39
HSD17B10 Q99714 4/20 0.39
RAB9A P51151 4/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 6/20 0.38
CACNA2D1 P54289 2/20 0.37
OPRM1 P35372 1/20 0.37
GAA P10253 3/20 0.36
CASP3 P42574 2/20 0.36

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
SCHEMBL2953319 0.85 MIF (0.53) MIFGABRA1NPSR1HPGDKDM4E
SCHEMBL2956257 0.83 MIF (0.53) MIFGABRA1NPSR1KDM4EKMT2A
SCHEMBL2959724 0.83 MIF (0.53) MIFGABRA1NPSR1HPGDKDM4E
SCHEMBL2952992 0.81 MIF (0.50) MIFGABRA1NPSR1HPGDKDM4E
SCHEMBL2961619 0.80 MIF (0.46) MIFGABRA1NPSR1HPGDKDM4E
SCHEMBL2952395 0.78 PAX8 (0.51) MIFGABRA1NPSR1KDM4EKMT2A
SCHEMBL2960014 0.76 MIF (0.46) MIFGABRA1NPSR1KDM4EKMT2A
SCHEMBL2955650 0.75 MIF (0.46) MIFGABRA1HPGDKDM4EKMT2A
SCHEMBL2952619 0.74 MIF (0.58) MIFGABRA1NPSR1HPGDKDM4E
SCHEMBL2956956 0.71 MIF (0.52) MIFGABRA1NPSR1HPGDKDM4E

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-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
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 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 (2 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 3323/4885NPSR1 1631/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885NPSR1 1631/4885

“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.