SCHEMBL1444488

SCHEMBL1444488

COC(=O)c1cccc(CN2C(=O)/C(=C(/c3ccc(C#N)cc3)C(C)(C)C)c3ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
PRKAG1 P54619 11/20 0.48
PRKAB1 Q9Y478 11/20 0.48
PRKAA2 P54646 10/20 0.48
PRKAA1 Q13131 1/20 0.46
GSK3B P49841 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL1444319 0.94 TRPA1 (0.54) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL1444735 0.90 PRKAG1 (0.59) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL1444631 0.88 PRKAG1 (0.61) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL1444331 0.88 PRKAG1 (0.61) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL12811931 0.88 TRPA1 (0.59) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL1444628 0.88 PRKAG1 (0.61) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL14958226 0.86 PRKAG1 (0.64) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL12812702 0.83 TRPA1 (0.57) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL1444608 0.82 PRKAG1 (0.60) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1
SCHEMBL12849558 0.82 TRPA1 (0.58) TRPA1PRKAG1PRKAB1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US claimed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US claimed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US claimed
EP-2480530-A1 ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011033099-A1 ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO claimed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US claimed
WO-2011032320-A1 NOVEL ALKENE OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO claimed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2480530-A1 ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011033099-A1 ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
WO-2011032320-A1 NOVEL ALKENE OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 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-20140288127-A1 Novel Alkene Oxindole Derivatives PRKAB1, PRKAR2A, PRKAB2 TRPA1 2864/4885PRKAG1 5/4885PRKAB1 1/4885
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 TRPA1 2605/4885PRKAG1 5/4885PRKAB1 1/4885
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 TRPA1 2864/4885PRKAG1 5/4885PRKAB1 1/4885

“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.