SCHEMBL13200370

SCHEMBL13200370

Cc1cc(CCC(=O)OC(C)(C)C)cc[n+]1[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PDE4A P27815 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
APP P05067 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
STING1 Q86WV6 1/20 0.32
BCHE P06276 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP4Z1 Q86W10 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31

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
SCHEMBL16318583 0.83 CYP4F2 (0.53) CYP4F2CYP4A11APPHRH3TDP1
SCHEMBL2961907 0.79 KEAP1 (0.44)
SCHEMBL13199836 0.78 HDAC8 (0.35) HDAC8MTNR1AMTNR1BSTING1
SCHEMBL4099172 0.75 KDM4E (0.32) HDAC8MTNR1AMTNR1BHRH3STING1
SCHEMBL10982252 0.75 CYP4F2 (0.50) CYP4F2CYP4A11MTNR1AMTNR1BHRH3
SCHEMBL17921312 0.75 CYP4F2 (0.41) HDAC8CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL28623133 0.74 TDP1 (0.48) HDAC8TDP1
SCHEMBL29059942 0.72 CYP1A2 (0.53) HDAC8NR1H2NR1H3
SCHEMBL9697737 0.72 APP (0.48) CYP4F2CYP4A11APP
SCHEMBL18267809 0.72 HDAC8 (0.49) HDAC8CYP4F2CYP4A11MTNR1AMTNR1B

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 3 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

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 HDAC8 2706/4885CYP4F2 998/4885CYP4A11 1412/4885

“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.