SCHEMBL2956932

SCHEMBL2956932

CN(C(=O)OC(C)(C)C)c1cccc(C#N)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
BRD4 O60885 2/20 0.35
USP30 Q70CQ3 3/20 0.32
GRM5 P41594 2/20 0.32
CREBBP Q92793 1/20 0.32
CTSS P25774 3/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 2/20 0.32
AHR P35869 1/20 0.32
SRC P12931 1/20 0.32
FGFR4 P22455 1/20 0.32
SOS2 Q07890 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
NCEH1 Q6PIU2 2/20 0.32

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
SCHEMBL10267639 0.83 USP30 (0.36) PAX8HCRTR1HCRTR2USP30GRM5
SCHEMBL18768746 0.80 PAX8 (0.42) PAX8USP30GPR119
SCHEMBL31128417 0.80 PAX8 (0.35) PAX8BRD4GRM5CREBBP
SCHEMBL852406 0.80 PAX8 (0.42) PAX8BRD4GRM5CREBBP
SCHEMBL68085 0.80 PAX8 (0.42) PAX8BRD4GRM5CREBBPNCEH1
SCHEMBL2960607 0.79 HCRTR1 (0.41) HCRTR1HCRTR2USP30GRM5CTSK
SCHEMBL23131099 0.79 PAX8 (0.40) PAX8BRD4CREBBP
SCHEMBL14182011 0.79 PAX8 (0.40) PAX8BRD4CREBBPNCEH1
SCHEMBL21964982 0.78 PAX8 (0.41) PAX8BRD4CREBBPNCEH1
SCHEMBL14270683 0.78 PAX8 (0.39) PAX8BRD4CREBBP

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 PAX8 3292/4885HCRTR1 3079/4885HCRTR2 3869/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 PAX8 3292/4885HCRTR1 3079/4885HCRTR2 3869/4885

“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.