SCHEMBL13199836

SCHEMBL13199836

Cc1cc[n+]([O-])c(CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.35
STING1 Q86WV6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
PHGDH O43175 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL4099172 0.86 KDM4E (0.32) HDAC8STING1KDM4EALDH1A1MTNR1A
SCHEMBL4096845 0.83 KDM4E (0.31) STING1KDM4EALDH1A1
SCHEMBL13199715 0.80 ALDH1A1 (0.39) KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL2962396 0.79 NPSR1 (0.42)
SCHEMBL13200370 0.78 HDAC8 (0.35) HDAC8STING1MTNR1AMTNR1B
SCHEMBL28623133 0.71 TDP1 (0.48) HDAC8KDM4EALDH1A1
SCHEMBL14110364 0.70 CYP4F2 (0.41) HDAC8STING1MTNR1AMTNR1B
SCHEMBL7420345 0.69 CYP4F2 (0.49) HDAC8KDM4EALDH1A1MAPT
SCHEMBL18267809 0.69 HDAC8 (0.49) HDAC8STING1KDM4EALDH1A1MTNR1A
SCHEMBL10312507 0.69 LMNA (0.46) HDAC8KDM4EALDH1A1MAPTMTNR1A

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 2706/4885STING1 726/4885KDM4E 3627/4885

“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.