Darbufelone

Darbufelone

SCHEMBL452951

CC(C)(C)c1cc(C=C2SC(=N)NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.75
PTGS1 P23219 7/20 0.75
MRE11 P49959 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
GAA P10253 1/20 0.55
ALOX5 P09917 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53

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
Darbufelone SCHEMBL452950 1.00 PTGS2 (0.75) PTGS2PTGS1MRE11CYP1A2CYP2C9
Darbufelone SCHEMBL8526046 1.00 PTGS2 (0.75) PTGS2PTGS1MRE11CYP1A2CYP2C9
Darbufelone SCHEMBL2683037 0.94 PTGS2 (0.67) PTGS2PTGS1MRE11CYP1A2CYP2C9
SCHEMBL3667218 0.86 PTGS2 (1.00) PTGS2PTGS1GAAALOX5
SCHEMBL3667216 0.86 PTGS2 (1.00) PTGS2PTGS1GAAALOX5
SCHEMBL8962138 0.86 PTGS2 (1.00) PTGS2PTGS1GAAALOX5
SCHEMBL8618544 0.83 PTGS2 (1.00) PTGS2PTGS1GAAMEN1KMT2A
SCHEMBL8309757 0.83 PTGS2 (1.00) PTGS2PTGS1GAAMEN1KMT2A
SCHEMBL7768284 0.83 PTGS2 (1.00) PTGS2PTGS1GAAMEN1KMT2A
SCHEMBL8492533 0.82 PTGS2 (0.51) PTGS2PTGS1MRE11CYP1A2CYP2C9

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914122-B1 METHOD FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS BY ADMINISTERING A THIAZOLIDINONE WARNER LAMBERT CO (US) 2003-09-24 EP claimed
EP-0914122-A1 METHOD FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS BY ADMINISTERING A THIAZOLIDINONE WARNER-LAMBERT COMPANY (US) 1999-05-12 EP claimed
WO-1998002160-A1 METHOD FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS BY ADMINISTERING A THIAZOLIDINONE WARNER-LAMBERT COMPANY (US) 1998-01-22 WO claimed
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES BROUGH STEPHEN (GB) 2013-01-10 US disclosed
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-8299246-B2 N-cyclopropyl-3-fluoro-5-[3-[[1-[2-[2- [(2-hydroxethyl)amino] ethoxy]phenyl] cyclopropyl] amino]-2-oxo-1 (2H)-pyrazinyl]-4-methyl-benzamide, or pharmaceutically acceptable salts thereof and their uses ASTRAZENECA AB (SE) 2012-10-30 US disclosed
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES ASTRAZENECA AB (SE) 2012-08-23 US disclosed
EP-0914122-A1 METHOD FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS BY ADMINISTERING A THIAZOLIDINONE WARNER-LAMBERT COMPANY (US) 1999-05-12 EP disclosed
EP-0914122-A1 METHOD FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS BY ADMINISTERING A THIAZOLIDINONE WARNER-LAMBERT COMPANY (US) 1999-05-12 EP disclosed
WO-1998002160-A1 METHOD FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS BY ADMINISTERING A THIAZOLIDINONE WARNER-LAMBERT COMPANY (US) 1998-01-22 WO disclosed
WO-1998002160-A1 METHOD FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS BY ADMINISTERING A THIAZOLIDINONE WARNER-LAMBERT COMPANY (US) 1998-01-22 WO disclosed
US-5494927-A INHIBITS ACTIVITY OF 5-LIPOXYGENASE AND-OR CYCLOOXYGENASE WARNER-LAMBERT COMPANY (US) 1996-02-27 US disclosed
EP-0449216-B1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER LAMBERT CO (US) 1996-02-07 EP disclosed
US-5290800-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1994-03-01 US disclosed
US-5143928-A Inhibitors of cyclooxygenase and lipoxygenase WARNER-LAMBERT COMPANY (US) 1992-09-01 US disclosed
EP-0449216-A1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1991-10-02 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 (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-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 PTGS2 1752/4885PTGS1 1976/4885MRE11 4885/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 PTGS2 2891/4885PTGS1 2476/4885MRE11 4669/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 PTGS2 2393/4885PTGS1 2409/4885MRE11 4333/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 PTGS2 3832/4885PTGS1 3607/4885MRE11 4863/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PTGS2 2978/4885PTGS1 3031/4885MRE11 3531/4885

“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.