SCHEMBL2958476

SCHEMBL2958476

CCOC(=O)C(C)Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP19A1 P11511 3/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
CDC7 O00311 5/20 0.43
DBF4 Q9UBU7 5/20 0.43
NAMPT P43490 3/20 0.43
MMP8 P22894 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CASP1 P29466 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
SCHEMBL8574971 0.87 EPHX2 (0.51) LMNAEPHX2PPARGMMP8KMT2A
SCHEMBL2370593 0.85 CYP19A1 (0.45) ALDH1A1CYP3A4CYP19A1MAPTLMNA
SCHEMBL6640643 0.84 CPB2 (0.46) ALDH1A1CYP19A1MAPTEPHX2PPARG
SCHEMBL2672559 0.84 MMP8 (0.54) ALDH1A1CYP19A1MAPTCDC7DBF4
SCHEMBL20126694 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP19A1MAPTLMNA
SCHEMBL27231867 0.83 CYP19A1 (0.44) ALDH1A1CYP3A4CYP19A1MAPTLMNA
SCHEMBL5314193 0.83 CYP1A2 (0.48) ALDH1A1CYP3A4CYP19A1MAPTCDC7
SCHEMBL1892061 0.82 MMP8 (0.59) ALDH1A1CYP3A4LMNAMAPK1EPHX2
SCHEMBL12311754 0.82 MMP8 (0.59) ALDH1A1CYP3A4LMNAMAPK1EPHX2
SCHEMBL15933208 0.82 PPARG (0.48) ALDH1A1MAPTLMNAEPHX2PPARG

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
US-20240217932-A1 PYRIDIUM ESTERS THE PROCTER AND GAMBLE COMPANY 2024-07-04 US disclosed
EP-4374698-A1 PYRIDINIUM ESTERS The Procter & Gamble Company (US) 2024-05-29 EP 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-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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO 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 (3 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 273/4885CYP3A4 1744/4885CYP19A1 2619/4885
US-20240217932-A1 PYRIDIUM ESTERS C5, CBR3, CHRM1 ALDH1A1 2024/4885CYP3A4 68/4885CYP19A1 782/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALDH1A1 273/4885CYP3A4 1744/4885CYP19A1 2619/4885

“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.