SCHEMBL2953301

SCHEMBL2953301

CCOC(=O)C(C)Cc1ccnc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
GRM5 P41594 3/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TSHR P16473 3/20 0.38
CASP1 P29466 2/20 0.38
HPGD P15428 2/20 0.38
MYC P01106 1/20 0.37
HTT P42858 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 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
SCHEMBL6496620 0.85 KMT2A (0.38) SMN1; SMN2KMT2AMEN1GAAL3MBTL1
SCHEMBL2769760 0.80 TBXAS1 (0.43) SMN1; SMN2KMT2AMEN1GAAL3MBTL1
SCHEMBL5983583 0.77 AAK1 (0.40) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2958476 0.75 ALDH1A1 (0.50) KMT2AGAAL3MBTL1MAPTALDH1A1
SCHEMBL8563484 0.74 MMP8 (0.46) KMT2AMEN1L3MBTL1ALDH1A1NPC1
SCHEMBL508971 0.73 JMJD6 (0.52) ALDH1A1KDM4EHSD17B10HPGDMYC
SCHEMBL5518970 0.73 ALDH1A1 (0.45) GRM5ALDH1A1MYCTDP1PDE4A
SCHEMBL8574971 0.73 EPHX2 (0.51) KMT2AMEN1L3MBTL1NPC1TSHR
SCHEMBL7405224 0.72 HSD17B10 (0.51) KDM4EHSD17B10MYCUSP2TDP1
SCHEMBL7405225 0.72 HSD17B10 (0.51) KDM4EHSD17B10MYCUSP2TDP1

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 SMN1; SMN2 388/4885KMT2A 3139/4885MEN1 203/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 SMN1; SMN2 388/4885KMT2A 3139/4885MEN1 203/4885

“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.