SCHEMBL5558726

SCHEMBL5558726

COCCOc1ccc2sc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 15/20 0.47
PPARA Q07869 1/20 0.41
DYRK1A Q13627 3/20 0.41
CLK2 P49760 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MAPK14 Q16539 2/20 0.41
MAPK9 P45984 1/20 0.40
MAPT P10636 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
SCHEMBL5564638 0.92 CLK1 (0.45) CLK1PPARADYRK1ACLK2CLK4
SCHEMBL5563425 0.90 KDM4E (0.45) CLK1PPARADYRK1AMAPK14MAPK9
SCHEMBL5563787 0.89 CLK1 (0.41) CLK1PPARACLK2MAPK14MAPK9
SCHEMBL5564913 0.89 CACNA1H (0.43) CLK1DYRK1AMAPK14MAPK9
SCHEMBL5563584 0.88 CLK1 (0.45) CLK1PPARADYRK1ACLK2CLK4
SCHEMBL5565157 0.87 MCHR1 (0.46) CLK1PPARAMAPK14MAPK9MAPT
SCHEMBL5564800 0.84 HDAC1 (0.47) MAPK14MAPK9
SCHEMBL5565342 0.84 CLK1 (0.46) CLK1MAPK14
SCHEMBL5558120 0.82 CLK1 (0.48) CLK1DYRK1AMAPK14
SCHEMBL13036451 0.78 HDAC1 (0.49) CLK1MAPK14

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-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 US 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-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HDAC1, HDAC11, HDAC7 CLK1 2625/4885PPARA 2841/4885DYRK1A 2415/4885

“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.