SCHEMBL13199817

SCHEMBL13199817

O=c1nc(-c2cccc(CN3CCOCC3)n2)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.52
MIF P14174 1/20 0.49
GABRA1 P14867 1/20 0.49
PRKDC P78527 4/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MGLL Q99685 1/20 0.39
ILK Q13418 1/20 0.39
PIK3CA P42336 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL2964054 0.89 MIF (0.51) CXCR4MIFGABRA1ALDH1A1KDM4E
SCHEMBL2959792 0.83 ALDH1A1 (0.47) MIFGABRA1ALDH1A1MEN1KMT2A
SCHEMBL2949821 0.83 MIF (0.46) MIFGABRA1ALDH1A1MEN1KMT2A
SCHEMBL2958775 0.81 KDM4E (0.47) MIFGABRA1ALDH1A1MAPTMEN1
SCHEMBL2956817 0.78 CCR3 (0.47) MIFGABRA1MEN1KMT2AKDM4E
SCHEMBL2962793 0.78 MIF (0.52) MIFGABRA1ALDH1A1MAPTMEN1
SCHEMBL6605440 0.77 MIF (0.59) MIFGABRA1ALDH1A1MAPTMEN1
SCHEMBL6605434 0.77 MIF (0.59) MIFGABRA1ALDH1A1MAPTMEN1
SCHEMBL2961677 0.77 MIF (0.59) MIFGABRA1ALDH1A1MAPTMEN1
SCHEMBL13199874 0.77 MIF (0.59) MIFGABRA1ALDH1A1MAPTMEN1

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 CXCR4 106/4885MIF 1/4885GABRA1 3323/4885

“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.