SCHEMBL2964607

SCHEMBL2964607

N#Cc1ccc(OCCN2C(=O)CCC2=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.47
HSD11B2 P80365 4/20 0.42
CXCR3 P49682 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
CYP11B2 P19099 1/20 0.36
GABRA5 P31644 1/20 0.36
MCHR1 Q99705 1/20 0.36
SCN7A Q01118 1/20 0.36
NSD2 O96028 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
TBXAS1 P24557 1/20 0.35

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
SCHEMBL1461827 0.77 ALK (0.43) HSD11B1HSD11B2HRH3GABRA5MCHR1
SCHEMBL18362733 0.77 MCHR1 (0.56) HRH3MCHR1SCN7A
SCHEMBL1714568 0.75 HRH3 (0.56) HRH3
SCHEMBL34464168 0.75 RAB9A (0.56) HSD11B1ALDH1A1
SCHEMBL21996953 0.75 RAB9A (0.56) HSD11B1ALDH1A1
SCHEMBL4590982 0.75 KDM4E (0.50) ALDH1A1HRH3MMP2MMP3MCHR1
SCHEMBL1461560 0.74 HRH2 (0.55) HRH3MCHR1SCN7A
SCHEMBL7433167 0.72 ALDH1A1 (0.49) HSD11B1HSD11B2ALDH1A1GABRA5
SCHEMBL1626866 0.71 HRH3 (0.51) ALDH1A1HRH3
SCHEMBL1400896 0.71 ALDH1A1 (0.41) HSD11B1HSD11B2ALDH1A1CYP11B2GABRA5

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 HSD11B1 357/4885HSD11B2 1015/4885CXCR3 540/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 HSD11B1 357/4885HSD11B2 1015/4885CXCR3 540/4885

“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.