SCHEMBL2961907

SCHEMBL2961907

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
FFAR1 O14842 9/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
PTPRB P23467 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
PTEN P60484 1/20 0.41
PTPMT1 Q8WUK0 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SLC2A1 P11166 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL11180580 0.75 L3MBTL1 (0.53) KEAP1FFAR1NPSR1FFAR4CA1
SCHEMBL6132102 0.74 KEAP1 (0.59) KEAP1FFAR1NPSR1FFAR4CA1
SCHEMBL2962396 0.73 NPSR1 (0.42) KEAP1FFAR1NPSR1FFAR4SLC2A1
SCHEMBL585013 0.69 FFAR4 (0.58) KEAP1FFAR1NPSR1FFAR4ALDH1A1
SCHEMBL1510215 0.69 KEAP1 (0.47) KEAP1FFAR1NPSR1FFAR4PTPRB
SCHEMBL456436 0.68 FFAR4 (0.67) KEAP1FFAR1FFAR4PTPRBCDC25A
SCHEMBL70271 0.68 KEAP1 (0.74) KEAP1FFAR1FFAR4PTPRBCDC25A
SCHEMBL9477010 0.67 KEAP1 (0.59) KEAP1FFAR1FFAR4CA1CA2
SCHEMBL18161715 0.67 FFAR1 (0.53) KEAP1FFAR1NPSR1FFAR4CA1
SCHEMBL11218783 0.67 THRA (0.57) KEAP1FFAR1NPSR1FFAR4

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 KEAP1 578/4885FFAR1 2851/4885NPSR1 1631/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 KEAP1 578/4885FFAR1 2851/4885NPSR1 1631/4885

“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.