SCHEMBL13199837

SCHEMBL13199837

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.34
STING1 Q86WV6 1/20 0.33
LCK P06239 1/20 0.31
CACNA1B Q00975 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL13199720 0.80 NPSR1 (0.36) STING1ALDH1A1
SCHEMBL13200372 0.79 STING1 (0.33) HDAC8STING1ALDH1A1GLA
SCHEMBL13217288 0.76 ALDH1A1 (0.40) HDAC8STING1CACNA1BALDH1A1GLA
SCHEMBL13199835 0.72 HDAC8 (0.39) HDAC8STING1ALDH1A1
SCHEMBL18267809 0.70 HDAC8 (0.49) HDAC8STING1ALDH1A1
SCHEMBL12386112 0.70 STING1 (0.33) HDAC8STING1
SCHEMBL13199840 0.69 MIF (0.42) STING1ALDH1A1
SCHEMBL6775183 0.68 KMT2A (0.44) ALDH1A1GLA
SCHEMBL6387386 0.68 KLK7 (0.38) ALDH1A1
SCHEMBL3949823 0.67 ALDH1A1 (0.35) HDAC8STING1ALDH1A1GLA

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 726/4885LCK 651/4885

“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.