SCHEMBL5000598

SCHEMBL5000598

CCOC(=O)C[C@H]1O[C@H](c2cccc(OC)c2OC)c2cc(Cl)ccc2N(CC(C)(C)CO)C1=O

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 18/20 0.83

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
SCHEMBL13893088 1.00 FDFT1 (0.83) FDFT1
SCHEMBL4680562 0.95 FDFT1 (0.74) FDFT1
SCHEMBL4937399 0.94 FDFT1 (0.78) FDFT1
SCHEMBL8560265 0.94 FDFT1 (0.72) FDFT1
SCHEMBL8560271 0.94 FDFT1 (0.72) FDFT1
SCHEMBL8669708 0.94 FDFT1 (0.72) FDFT1
SCHEMBL7255485 0.91 FDFT1 (1.00) FDFT1
SCHEMBL7255787 0.91 FDFT1 (1.00) FDFT1
SCHEMBL13893090 0.91 FDFT1 (1.00) FDFT1
SCHEMBL4682959 0.91 FDFT1 (1.00) FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088416-A1 DEUTERIUM-ENRICHED LAPAQUISTAT PROTIA, LLC (US) 2009-04-02 US disclosed
US-20080153801-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-26 US disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
US-20070117787-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-05-24 US disclosed
US-20040072819-A1 Benzoxazepine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-04-15 US disclosed
US-6613761-B1 (3R,5S)-N- methanesulfonyl-7-chloro-5-(2,3-dimethoxyphenyl) -1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4, 1-benzoxazepine-3-acetamide, used as antilipemic agents and enzyme inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
EP-0862562-B1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-04 EP disclosed
EP-1097928-A1 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics Takeda Chemical Industries, Ltd. (JP) 2001-05-09 EP disclosed
US-6110909-A SQUALENE SYNTHETASE INHIBITING ANTILIPEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-29 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 (5 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-20090088416-A1 DEUTERIUM-ENRICHED LAPAQUISTAT LPXN, SLC10A2, SLC10A1 FDFT1 778/4885
US-20070117787-A1 Benzoxazepine compounds, their production and use NR1H2, APOB, CETP FDFT1 1208/4885
US-20040072819-A1 Benzoxazepine compounds, their production and use CES1, CETP, CYP46A1 FDFT1 709/4885
US-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY FDFT1 1957/4885
US-20080153801-A1 Benzoxazepine compounds, their production and use CETP, PCSK9, LPL FDFT1 841/4885

“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.