SCHEMBL5568044

SCHEMBL5568044

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1CO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KLK7 P49862 1/20 0.45
ROCK2 O75116 1/20 0.45
KLK5 Q9Y337 1/20 0.44
AVPR2 P30518 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
FKBP1A P62942 4/20 0.41
ACE P12821 1/20 0.40
EPHX2 P34913 1/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL15473578 0.84 HCRTR1 (0.48) MEN1KMT2AKLK7ROCK2CNR1
SCHEMBL8637778 0.81 ROCK2 (0.47) MEN1KMT2AKLK7ROCK2KLK5
SCHEMBL14905799 0.78 CXCR1 (0.49) MEN1KMT2AKLK7ROCK2CXCR1
SCHEMBL13469109 0.78 CNR2 (0.53) MEN1KMT2ACNR1CNR2FKBP1A
SCHEMBL5416477 0.77 ROCK2 (0.46) MEN1KMT2AKLK7ROCK2KLK5
SCHEMBL13469117 0.77 ALDH1A1 (0.54) MEN1KMT2AFKBP1AALDH1A1
SCHEMBL15743843 0.76 MEN1 (0.44) MEN1KMT2ACXCR1CXCR2ALDH1A1
SCHEMBL14664144 0.76 RIPK1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL14905797 0.76 CXCR1 (0.47) MEN1KMT2AKLK7ROCK2CXCR1
SCHEMBL4164043 0.75 HSP90AA1 (0.58) KLK7ROCK2CXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 943/4885KMT2A 2755/4885KLK7 3978/4885

“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.