SCHEMBL2962396

SCHEMBL2962396

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
FFAR1 O14842 6/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SLC2A1 P11166 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
EGFR P00533 2/20 0.38
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.36
KMO O15229 1/20 0.36
KEAP1 Q14145 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36

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
SCHEMBL13199836 0.79 HDAC8 (0.35)
SCHEMBL2952828 0.74 SLC2A1 (0.53) FFAR1SLC2A1KEAP1FFAR4
SCHEMBL2961907 0.73 KEAP1 (0.44) NPSR1FFAR1SLC2A1KEAP1FFAR4
SCHEMBL29993495 0.72 HTT (0.32) THRB
SCHEMBL11258812 0.72 RAB9A (0.33) NPSR1KMT2ATHRB
SCHEMBL30218447 0.72 ALDH1A1 (0.40) KMT2AMEN1
SCHEMBL10144621 0.68 SLC6A4 (0.34) TSHR
SCHEMBL69559 0.68 NPSR1 (0.57) NPSR1FFAR1KMT2AMEN1EGFR
SCHEMBL8899078 0.67
SCHEMBL8365787 0.66 NPSR1 (0.53) NPSR1FFAR1KMT2AMEN1PPARG

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 NPSR1 1631/4885FFAR1 2851/4885KMT2A 3139/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 NPSR1 1631/4885FFAR1 2851/4885KMT2A 3139/4885

“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.