SCHEMBL5568167

SCHEMBL5568167

O=C(NC1CC1)c1ccc(CO)cn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 9/20 0.51
PRKAB2 O43741 3/20 0.51
PRKAG1 P54619 3/20 0.51
PRKAA1 Q13131 3/20 0.51
PRKAG3 Q9UGI9 3/20 0.51
PRKAG2 Q9UGJ0 3/20 0.51
PRKAB1 Q9Y478 3/20 0.51
SMYD3 Q9H7B4 3/20 0.47
AOC3 Q16853 1/20 0.45
LMNA P02545 1/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL9908373 0.86 SMYD3 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL506648 0.80 ALDH1A1 (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL17253106 0.79 PRKAB2 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3237045 0.78 PRKAB2 (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL178410 0.78 CNR1 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL349519 0.78 KDM4E (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL244445 0.77 SMYD3 (0.67) SMYD3PARP1
SCHEMBL26970993 0.77 PARP1 (0.51) LMNAPARP1
SCHEMBL30027907 0.77 PARP1 (0.51) LMNAPARP1
SCHEMBL31731804 0.76 CRBN (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035765-B Sulfonamide derivatives HOFFMANN LA ROCHE 2010-10-13 CN disclosed
CN-101747324-A Sulfonamide derivatives HOFFMANN LA ROCHE 2010-06-23 CN disclosed
CN-101035765-A Sulfonamide derivatives HOFFMANN LA ROCHE (CH) 2007-09-12 CN disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 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 (1 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 PRKAA2 1870/4885PRKAB2 3124/4885PRKAG1 3025/4885

“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.