SCHEMBL13200054

SCHEMBL13200054

[C-]#[N+]c1cccc(SCC(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PRNP P04156 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GAA P10253 1/20 0.45
APEX1 P27695 2/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CXCL12 P48061 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.37
HIF1A Q16665 1/20 0.37
RAB9A P51151 1/20 0.37
CDC25B P30305 1/20 0.37
GRK6 P43250 1/20 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
SCHEMBL13199783 0.82 HSD17B10 (0.49) KDM4EPRNPRXFP1FFAR1ALDH1A1
SCHEMBL13200058 0.79 KMT2A (0.38) KDM4EPRNPRXFP1ALDH1A1HPGD
SCHEMBL31555055 0.75 KDM4E (0.54) KDM4EPRNPRXFP1GAAAPEX1
SCHEMBL13217258 0.71 KDM4E (0.50) KDM4EPRNPRXFP1GAAAPEX1
SCHEMBL13199785 0.70 HTR7 (0.60)
SCHEMBL29987569 0.67 ALDH1A1 (0.69) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL437152 0.67 ALDH1A1 (0.69) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL1613311 0.67 PRNP (1.00) KDM4EPRNPRXFP1GAAALDH1A1
SCHEMBL13199776 0.66 FFAR4 (0.34)
Hydrochloric Acid SCHEMBL7960964 0.66 PRNP (0.97) KDM4EPRNPRXFP1GAAALDH1A1

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 KDM4E 3627/4885PRNP 667/4885RXFP1 2507/4885

“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.