SCHEMBL13200372

SCHEMBL13200372

[C-]#[N+]c1cc(CCC(=O)OC(C)(C)C)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
GPR4 P46093 1/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL13199837 0.79 HDAC8 (0.34) STING1ALDH1A1GLAHDAC8
SCHEMBL13217239 0.76 ALDH1A1 (0.42) STING1ALDH1A1GLAHDAC8
SCHEMBL18267809 0.74 HDAC8 (0.49) STING1ALDH1A1HDAC8CYP4F2CYP4A11
SCHEMBL13200356 0.72 FFAR1 (0.43) HDAC8CYP4F2CYP4A11
SCHEMBL13199720 0.72 NPSR1 (0.36) STING1ALDH1A1
SCHEMBL7687115 0.71 HDAC8 (0.36) STING1ALDH1A1HDAC8CYP4F2CYP4A11
SCHEMBL28045318 0.71 PTGS1 (0.41) STING1ALDH1A1HDAC8CYP4F2CYP4A11
SCHEMBL12386112 0.70 STING1 (0.33) STING1HDAC8
SCHEMBL10982252 0.69 CYP4F2 (0.50) ALDH1A1CYP4F2CYP4A11
SCHEMBL1249462 0.69 STS (0.39) STING1ALDH1A1HDAC8

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 STING1 726/4885ALDH1A1 273/4885GLA 4808/4885

“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.