SCHEMBL2963164

SCHEMBL2963164

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.40
HPGDS O60760 1/20 0.38
GABRA1 P14867 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 4/20 0.37
GABRA5 P31644 3/20 0.37
GABRA6 Q16445 3/20 0.37
GABRA4 P48169 2/20 0.37
CTSK P43235 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRE P78334 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37

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
SCHEMBL18254547 0.82 MAPT (0.48) AHRALDH1A1CYP1A2GRM5KDM4E
SCHEMBL2962800 0.78 CYP1A2 (0.70) AHRALDH1A1CYP1A2GABRA2GABRB2
SCHEMBL946380 0.77 P2RX7 (0.50) ALDH1A1CYP1A2HPGDSGABRA1GABRG2
SCHEMBL32315381 0.77 P2RX7 (0.50) ALDH1A1CYP1A2HPGDSGABRA1GABRG2
SCHEMBL7770340 0.76 AHR (0.49) AHRALDH1A1CTSKSOS2SRC
SCHEMBL594691 0.76 GRM5 (0.44) ALDH1A1CYP1A2HPGDSGABRA1GABRG2
SCHEMBL31746517 0.76 GRM5 (0.44) ALDH1A1CYP1A2HPGDSGABRA1GABRG2
SCHEMBL13755312 0.76 CYP1A2 (0.43) ALDH1A1CYP1A2HPGDSGABRA1GABRG2
SCHEMBL12468872 0.76 CYP1A2 (0.43) ALDH1A1CYP1A2HPGDSGABRA1GABRG2
SCHEMBL29498377 0.76 CYP1A2 (0.43) ALDH1A1CYP1A2HPGDSGABRA1GABRG2

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 AHR 1362/4885ALDH1A1 273/4885CYP1A2 2284/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 AHR 1362/4885ALDH1A1 273/4885CYP1A2 2284/4885

“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.