SCHEMBL2958840

SCHEMBL2958840

CCc1ccccc1Sc1cccc(-c2nc(=O)c3ccccc3s2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.50
GABRA1 P14867 1/20 0.50
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 5/20 0.34
LMNA P02545 4/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 5/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NFKB1 P19838 1/20 0.33
RECQL P46063 1/20 0.33
NFKB2 Q00653 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
SCHEMBL2961631 0.82 MIF (0.56) MIFGABRA1ALDH1A1RAB9ALMNA
SCHEMBL2963187 0.80 MIF (0.59) MIFGABRA1ALDH1A1RAB9ALMNA
SCHEMBL2953102 0.80 MIF (0.53) MIFGABRA1ALDH1A1RAB9ALMNA
SCHEMBL2958616 0.79 MIF (0.52) MIFGABRA1ALDH1A1RAB9ALMNA
SCHEMBL2960856 0.79 MIF (0.65) MIFGABRA1ALDH1A1RAB9ALMNA
SCHEMBL2958987 0.78 MIF (0.59) MIFGABRA1MAPK14ALDH1A1RAB9A
SCHEMBL2956302 0.78 MIF (0.56) MIFGABRA1ALDH1A1RAB9ALMNA
SCHEMBL2954300 0.77 MIF (0.50) MIFGABRA1ALDH1A1RAB9ALMNA
SCHEMBL13217133 0.77 MIF (0.56) MIFGABRA1ALDH1A1RAB9ALMNA
SCHEMBL2956272 0.77 MIF (0.56) MIFGABRA1ALDH1A1RAB9ALMNA

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 5 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
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 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 (2 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 3323/4885MAPK14 1515/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885MAPK14 1515/4885

“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.