SCHEMBL2964081

SCHEMBL2964081

CC(C)(C)OC(=O)CCCCCOc1ccc2sc(-c3ccccn3)nc(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.47
GABRA1 P14867 1/20 0.47
LMNA P02545 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 5/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PPP1CA P62136 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ACSL1 P33121 1/20 0.35
ACSL6 Q9UKU0 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 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
SCHEMBL2949708 0.88 MIF (0.52) MIFGABRA1LMNAALDH1A1KDM4E
SCHEMBL2955116 0.87 MIF (0.53) MIFGABRA1ACSL1ACSL6PDE3B
SCHEMBL2962029 0.84 MIF (0.56) MIFGABRA1LMNAALDH1A1KDM4E
SCHEMBL2958879 0.83 MIF (0.60) MIFGABRA1LMNAALDH1A1KDM4E
SCHEMBL2961588 0.82 MIF (0.58) MIFGABRA1LMNAALDH1A1KDM4E
SCHEMBL2962156 0.78 MIF (0.56) MIFGABRA1ALDH1A1KDM4ENPC1
SCHEMBL2956273 0.78 MIF (0.58) MIFGABRA1LMNAALDH1A1KDM4E
SCHEMBL2954389 0.76 MIF (0.58) MIFGABRA1LMNAALDH1A1KDM4E
SCHEMBL2962430 0.74 MIF (0.60) MIFGABRA1ALDH1A1KDM4ENPC1
SCHEMBL2962323 0.73 MIF (0.49) MIFGABRA1LMNAALDH1A1KDM4E

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 4 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-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
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 (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 3323/4885LMNA 1854/4885

“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.