SCHEMBL13199871

SCHEMBL13199871

CC(C)(C)OC(=O)NCc1cccc[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.47
NAMPT P43490 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNA5 P22460 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL5592420 0.86 NQO2 (0.44) NAMPTCA12CA1MALT1IDO1
SCHEMBL28405161 0.84 KDM4A (0.48) KDM4ANAMPTCA12CA1CA7
Iodide SCHEMBL22366521 0.83 KDM4A (0.47) KDM4ANAMPTCA12CA1CA7
SCHEMBL18768485 0.82 KDM4A (0.46) KDM4ANAMPTCA12CA1CA7
SCHEMBL26703790 0.81 KDM4A (0.48) KDM4ANAMPTCA12CA1CA7
SCHEMBL31132645 0.79 KDM4A (0.41) KDM4ANAMPTCA12CA1CA7
SCHEMBL9297535 0.79 NPSR1 (0.43) POLBHDAC6KDM4EHDAC1L3MBTL1
SCHEMBL6178258 0.77 MALT1 (0.51) KDM4ACA12CA1MALT1IDO1
SCHEMBL8293854 0.76 F2 (0.40) KDM4APOLBLMNA
SCHEMBL13199715 0.75 ALDH1A1 (0.39) KDM4EL3MBTL1

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 4 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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 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 (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 KDM4A 3144/4885NAMPT 2592/4885CA12 4849/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE KDM4A 2746/4885NAMPT 51/4885CA12 4829/4885

“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.