SCHEMBL6432420

SCHEMBL6432420

COC(=O)C=C(OC)C(C)Br

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL6432409 1.00 HCAR2 (0.40) HCAR2KEAP1NFE2L2
SCHEMBL6432413 1.00 HCAR2 (0.40) HCAR2KEAP1NFE2L2
SCHEMBL10879059 0.82 NPSR1 (0.46) HCAR2
SCHEMBL10879052 0.82 NPSR1 (0.46) HCAR2
SCHEMBL6432918 0.82 HCAR2 (0.34) HCAR2
SCHEMBL6432924 0.82 HCAR2 (0.34) HCAR2
SCHEMBL6432921 0.82 HCAR2 (0.34) HCAR2
SCHEMBL9516513 0.77 HCAR2 (0.40) HCAR2KEAP1NFE2L2
SCHEMBL8844387 0.74 HCAR2 (0.37) HCAR2KEAP1NFE2L2
SCHEMBL11482890 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282619-B1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES HOFFMANN LA ROCHE (CH) 2005-06-22 EP disclosed
US-6753432-B2 BROMOMETHYLATION OR CHLOROMETHYLATION; CONDENSATION WITH PRIMARY AMIDE; DEESTERIFICATION, SULFONATION HOFFMANN-LA ROCHE INC. 2004-06-22 US disclosed
US-20040024222-A1 Process for the preparation of thiazolidinedione derivatives SCALONE MICHELANGELO (CH) 2004-02-05 US disclosed
US-6620941-B2 Bromination of ethyl 3-oxovalerate, condensing with benzamide, then reducing with diisobutylaluminum hydride and sulfonating to form 2-(5-Methyl-2- phenyl-4-oxazolyl)ethanomethanesulfonic ester, used as chemical intermediates HOFFMANN-LA ROCHE INC. 2003-09-16 US disclosed
US-20030092916-A1 Process for the preparation of thiazolidinedione derivatives SCALONE MICHELANGELO (CH) 2003-05-15 US disclosed
US-6531609-B2 Bromomethylation or chloromethylation of a 1-benzothiophene-4-oxyethyl-oxazole derivative to from intermediate, reacting the intermediate with 2,4-thiazolidinedione HOFFMANN-LA ROCHE INC. 2003-03-11 US disclosed
EP-1282619-A1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-20010049445-A1 Process for the preparation of thiazolidinedione derivatives HOFFMANN-LA ROCHE INC. 2001-12-06 US disclosed
WO-2001079202-A1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-25 WO disclosed
US-4725683-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1988-02-16 US disclosed
EP-0050019-B1 3-KETO-4-(4'-AROMATICALLY SUBSTITUTED-PHENOXY) COMPOUNDS, THEIR 3- ALKYLATED ENOL AND 2,3-HYDROGENATED DERIVATIVES AND THE USE THEREOF FOR THE CONTROL OF WEEDS SANDOZ AG (CH) 1986-04-09 EP disclosed
US-4561882-A HERBICIDES ZOECON CORPORATION (US) 1985-12-31 US disclosed
US-4529438-A A 1-(pyrid-2-yl-oxy-),4-(ester-keto-oxy)benzene compound ZOECON CORP. (US) 1985-07-16 US disclosed
US-4525205-A PRE- AND POSTEMERGENCE; WEED CONTROL ZOECON CORPORATION (US) 1985-06-25 US disclosed
US-4429167-A HERBICIDES ZOECON CORPORATION (US) 1984-01-31 US disclosed
US-4408076-A PRE- AND POSTEMERGENCE HERBICIDES ZOECON CORPORATION (US) 1983-10-04 US disclosed
EP-0050019-A1 3-Keto-4-(4'-aromatically substituted-phenoxy) compounds, their 3- alkylated enol and 2,3-hydrogenated derivatives and the use thereof for the control of weeds SANDOZ AG (CH) 1982-04-21 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 (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-20030092916-A1 Process for the preparation of thiazolidinedione derivatives SLC5A2, CYP4B1, CYP4F3 HCAR2 1717/4885KEAP1 1023/4885NFE2L2 549/4885
US-20010049445-A1 Process for the preparation of thiazolidinedione derivatives SLC5A2, CYP4B1, CYP4F3 HCAR2 1717/4885KEAP1 1023/4885NFE2L2 549/4885
US-20040024222-A1 Process for the preparation of thiazolidinedione derivatives SLC5A2, CYP4B1, CYP4F3 HCAR2 1717/4885KEAP1 1023/4885NFE2L2 549/4885

“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.