SCHEMBL2954086

SCHEMBL2954086

CCC(OC(C)=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.46
PDE4D Q08499 1/20 0.46
POLB P06746 1/20 0.43
CYP17A1 P05093 2/20 0.42
CYP19A1 P11511 2/20 0.42
KMT2A Q03164 3/20 0.41
PKM P14618 1/20 0.41
TBXAS1 P24557 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL29790249 0.86 SMN1; SMN2 (0.46) ALDH1A1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL23736419 0.84 ALDH1A1 (0.46) ALDH1A1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7529301 0.82 ALDH1A1 (0.46) ALDH1A1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL17072863 0.80 ALDH1A1 (0.53) ALDH1A1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL9608808 0.80 PABPC1 (0.55) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL2294116 0.80 PABPC1 (0.55) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL664962 0.80 PABPC1 (0.55) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL27558665 0.79 CYP17A1 (0.58) ALDH1A1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL12199215 0.78 CFTR (0.46) ALDH1A1LMNASMN1; SMN2L3MBTL1PDE4D
Ammonia Solution, Strong SCHEMBL9844915 0.78 PABPC1 (0.54) ALDH1A1LMNAPOLBKMT2AMEN1

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 ALDH1A1 273/4885HTT 934/4885LMNA 1854/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALDH1A1 273/4885HTT 934/4885LMNA 1854/4885

“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.