SCHEMBL13199784

SCHEMBL13199784

COC(=O)CSc1cccc(-c2nc(=O)c3ccccc3s2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.48
GABRA1 P14867 1/20 0.48
ALDH1A1 P00352 8/20 0.43
NPSR1 Q6W5P4 5/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 5/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
PRNP P04156 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39

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
SCHEMBL13200070 0.89 PRNP (0.48) MIFGABRA1ALDH1A1NPSR1KDM4E
SCHEMBL13200064 0.89 MIF (0.46) MIFGABRA1ALDH1A1NPSR1HPGD
SCHEMBL2955422 0.88 MIF (0.53) MIFGABRA1ALDH1A1NPSR1HPGD
SCHEMBL2956534 0.85 MIF (0.51) MIFGABRA1ALDH1A1NPSR1HPGD
SCHEMBL13200006 0.84 MIF (0.47) MIFGABRA1ALDH1A1NPSR1HPGD
SCHEMBL2961631 0.83 MIF (0.56) MIFGABRA1ALDH1A1NPSR1KDM4E
SCHEMBL2953102 0.81 MIF (0.53) MIFGABRA1ALDH1A1NPSR1KDM4E
SCHEMBL13217133 0.80 MIF (0.56) MIFGABRA1ALDH1A1NPSR1HPGD
SCHEMBL2952904 0.80 MIF (0.50) MIFGABRA1ALDH1A1NPSR1KDM4E
SCHEMBL2963187 0.79 MIF (0.59) MIFGABRA1ALDH1A1NPSR1KDM4E

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 3323/4885ALDH1A1 273/4885

“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.