SCHEMBL2960271

SCHEMBL2960271

O=C(NCC(F)(F)F)c1cccc(-c2nc(=O)c3ccccc3s2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.49
GABRA1 P14867 1/20 0.49
ULK1 O75385 1/20 0.43
ALDH1A1 P00352 7/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NPSR1 Q6W5P4 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 5/20 0.39
KMT2A Q03164 4/20 0.39
RXFP1 Q9HBX9 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 1/20 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
SCHEMBL2964085 0.85 MIF (0.52) MIFGABRA1ALDH1A1CASP3SENP7
SCHEMBL2949803 0.84 HPGD (0.57) MIFGABRA1ALDH1A1CASP3SENP7
SCHEMBL2949286 0.83 RAB9A (0.50) MIFGABRA1ALDH1A1CASP3SENP7
SCHEMBL2960071 0.81 HPGD (0.49) MIFGABRA1ALDH1A1CASP3SENP7
SCHEMBL2962166 0.81 NPSR1 (0.52) MIFGABRA1ALDH1A1CASP3SENP7
SCHEMBL4067890 0.80 NPSR1 (0.48) MIFGABRA1ALDH1A1CASP3SENP7
SCHEMBL13217267 0.80 NPSR1 (0.48) MIFGABRA1ALDH1A1CASP3SENP7
Hydrochloric Acid SCHEMBL2956299 0.79 NPSR1 (0.48) MIFGABRA1ALDH1A1CASP3SENP7
SCHEMBL2954354 0.78 MIF (0.61) MIFGABRA1ALDH1A1CASP3SENP7
SCHEMBL2958381 0.78 MIF (0.49) MIFGABRA1ALDH1A1CASP3SENP7

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 8 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
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 3323/4885ULK1 2179/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885ULK1 2179/4885

“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.