SCHEMBL2952828

SCHEMBL2952828

O=C(O)CCc1cccc[n+]1[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
ALDH1A1 P00352 3/20 0.49
KEAP1 Q14145 1/20 0.48
FFAR1 O14842 7/20 0.46
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL31070228 0.81 ALDH1A1 (0.51) SLC2A1ALDH1A1FFAR1TDP1KDM4E
SCHEMBL5217903 0.81 ALDH1A1 (0.51) SLC2A1ALDH1A1FFAR1TDP1KDM4E
SCHEMBL6357879 0.76 ALDH1A1 (0.46) SLC2A1ALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL13199715 0.76 ALDH1A1 (0.39) SLC2A1ALDH1A1TDP1KDM4E
SCHEMBL14732897 0.76 ALDH1A1 (0.48) SLC2A1ALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL2962396 0.74 NPSR1 (0.42) SLC2A1KEAP1FFAR1FFAR4
SCHEMBL8863043 0.73 PTPN1 (0.48) SLC2A1ALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL9297733 0.73 MTNR1A (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL904409 0.72 ALDH1A1 (0.46) ALDH1A1TDP1KDM4ESMN1; SMN2LMNA
SCHEMBL2552339 0.72 ALDH1A1 (0.46) SLC2A1ALDH1A1TDP1KDM4EHDAC8

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 SLC2A1 3343/4885ALDH1A1 273/4885KEAP1 578/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 SLC2A1 3343/4885ALDH1A1 273/4885KEAP1 578/4885

“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.