SCHEMBL13200286

SCHEMBL13200286

CC(C)(C)OC(=O)/C=C/c1ccnc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.41
ESR1 P03372 1/20 0.39
NR1H4 Q96RI1 4/20 0.38
MYC P01106 1/20 0.37
GPR119 Q8TDV5 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TTR P02766 1/20 0.35
APP P05067 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
XPO1 O14980 1/20 0.34
FDPS P14324 1/20 0.33
PTPN1 P18031 1/20 0.33
HDAC1 Q13547 1/20 0.33
CYP3A4 P08684 1/20 0.33
P4HB P07237 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
SCHEMBL13200362 0.81 ESR1 (0.40) ESR1NR1H4TTRAPPKMT2A
SCHEMBL23640629 0.80 HDAC1 (0.49) ESR1NR1H4TTRAPPKMT2A
SCHEMBL29943883 0.80 HDAC1 (0.49) ESR1NR1H4TTRAPPKMT2A
SCHEMBL2953973 0.79 KDM4E (0.45) ESR1MYCALDH1A1HPGDTTR
SCHEMBL2953977 0.79 KDM4E (0.45) ESR1MYCALDH1A1HPGDTTR
SCHEMBL2136561 0.76 P4HB (0.56) P4HB
SCHEMBL2136568 0.76 P4HB (0.56) P4HB
SCHEMBL13200273 0.75 JUN (0.56) ESR1ALDH1A1HPGDMAPTKMT2A
SCHEMBL3456585 0.75 CSF1R (0.43) CSF1RESR1NR1H4ALDH1A1TTR
SCHEMBL3456583 0.75 CSF1R (0.43) CSF1RESR1NR1H4ALDH1A1TTR

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 6 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-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

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 CSF1R 28/4885ESR1 3902/4885NR1H4 1108/4885

“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.