SCHEMBL2021882

SCHEMBL2021882

CC(C)(C)OC(=O)NCCc1cc[n+]([O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.53
CA1 P00915 6/20 0.53
NAMPT P43490 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
NQO2 P16083 1/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
LMNA P02545 1/20 0.44
PTGER4 P35408 1/20 0.43
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
IDO1 P14902 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL13603846 0.87 CA2 (0.51) CA2CA1NAMPTTDP1MAPT
SCHEMBL8125319 0.85 L3MBTL1 (0.49) CA2CA1NAMPTTDP1MAPT
SCHEMBL6540486 0.83 CA2 (0.49) CA2CA1NAMPTNQO2CA12
SCHEMBL27741035 0.83 CA2 (0.56) CA2CA1NAMPTTDP1MAPT
SCHEMBL572740 0.81 IDO1 (0.60) CA2CA1NAMPTMAPTCA12
SCHEMBL100146 0.80 KDM4E (0.60) CA2CA1NAMPTTDP1MAPT
SCHEMBL1569661 0.80 CA2 (0.56) CA2CA1NAMPTTDP1MAPT
SCHEMBL12283041 0.80 NPC1 (0.60) CA2CA1NAMPTTDP1MAPT
SCHEMBL23449213 0.79 CA2 (0.58) CA2CA1NAMPTTDP1MAPT
SCHEMBL5264226 0.79 CA2 (0.58) CA2CA1NAMPTTDP1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290412-A1 HIV-1 NUCLEOCAPSID INHIBITORS Università degli Studi di Siena (IT) 2018-03-07 EP disclosed
EP-3290412-A1 HIV-1 NUCLEOCAPSID INHIBITORS Università degli Studi di Siena (IT) 2018-03-07 EP disclosed
US-7956060-B2 Pyrimidine derivative compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-06-07 US disclosed
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-20090012060-A1 Antitumor Agent KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-01-08 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
EP-1749827-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-07 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 CA2 4700/4885CA1 4120/4885NAMPT 2592/4885
US-20090012060-A1 Antitumor Agent NR1H3, NR1I3, NR0B1 CA2 2492/4885CA1 1239/4885NAMPT 2819/4885

“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.