SCHEMBL13200535

SCHEMBL13200535

CC(C)(C)OC(=O)CCc1cc(-c2nc(=O)c3ccccc3s2)nc(S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
GABRA1 P14867 1/20 0.39
PAX8 Q06710 1/20 0.35
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
NPC1 O15118 4/20 0.31
RAB9A P51151 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
KDM4E B2RXH2 2/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31

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
SCHEMBL13200377 0.87 MIF (0.41) MIFGABRA1PAX8ALDH1A1NPSR1
SCHEMBL2958361 0.87 MIF (0.43) MIFGABRA1ALDH1A1NPSR1RXFP1
SCHEMBL4089531 0.84 MIF (0.39) MIFGABRA1PAX8ALDH1A1NPSR1
SCHEMBL13200524 0.84 MIF (0.39) MIFGABRA1PAX8ALDH1A1NPSR1
SCHEMBL13200571 0.84 MIF (0.39) MIFGABRA1PAX8ALDH1A1NPSR1
SCHEMBL2962323 0.83 MIF (0.49) MIFGABRA1PAX8ALDH1A1NPSR1
SCHEMBL13200529 0.83 MIF (0.38) MIFGABRA1PAX8ALDH1A1NPSR1
SCHEMBL13200441 0.81 MIF (0.48) MIFGABRA1PAX8ALDH1A1NPSR1
SCHEMBL13199840 0.80 MIF (0.42) MIFGABRA1PAX8ALDH1A1NPSR1
SCHEMBL3192112 0.79 NPSR1 (0.41) MIFGABRA1PAX8ALDH1A1NPSR1

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 MIF 1/4885GABRA1 3323/4885PAX8 3292/4885

“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.