SCHEMBL3583074

SCHEMBL3583074

CC(Br)(Br)C(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CA2 P00918 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL4652342 0.73 CES2 (0.37) CES2CA2
SCHEMBL6408848 0.73 CA2 (0.33) CES2CA2
SCHEMBL6901669 0.73 CA2 (0.33) CES2CA2
SCHEMBL5862766 0.73 CA2 (0.33) CES2CA2
SCHEMBL11674434 0.73 CES2 (0.37) CES2CA2
SCHEMBL26089480 0.73 ALDH1A1 (0.33) CES2CA2
SCHEMBL5327070 0.73 CES2 (0.37) CES2CA2
Methyl Alcohol SCHEMBL11878933 0.72 CES2 (0.40) CES2CA2
Fluoromethane SCHEMBL27825764 0.72 CES2 (0.40) CES2CA2
SCHEMBL344 0.71 CA2 (0.41) CES2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
EP-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
WO-2006070202-A1 PYRAZOLE DERIVATIVES HAVING KINASE MODULATING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
US-6869913-B1 Pyridazin-3-one derivatives, their use and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-22 US disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-6703503-B2 HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
US-20040005986-A1 Pyridazin-3-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED 2004-01-08 US disclosed
US-6482773-B1 Pyridazin-3-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-19 US disclosed
US-6348628-B1 HYDRAZONE HERBICIDE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
US-6090753-A 2-(SUBSTITUTED PHENYL), 5-HALOALKYL-PYRIDAZIN-3-ONE DERIVATIVES AS HERBICIDES; CONTROLLING WEEDS, METHOD OF MAKING BY REACTING A HYDRAZONE DERIVATIVE WITH A SPECIFIED PHOSPHORUS COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-07-18 US disclosed
EP-0850227-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-01 EP disclosed
WO-1997007104-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-27 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 (4 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-20040005986-A1 Pyridazin-3-one derivatives, their use, and intermediates for their production Q6ZSR9, HDHD5, CBR3 CES2 550/4885CA2 1952/4885ACHE 277/4885
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 CES2 1876/4885CA2 2954/4885ACHE 3022/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 CES2 1026/4885CA2 3228/4885ACHE 3033/4885
US-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 CES2 3154/4885CA2 1598/4885ACHE 3733/4885

“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.