SCHEMBL5565054

SCHEMBL5565054

COCCOCCOc1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.56
CLK1 P49759 13/20 0.48
DYRK1A Q13627 5/20 0.46
DYRK1B Q9Y463 1/20 0.46
BCL2L1 Q07817 1/20 0.43
PPARA Q07869 1/20 0.43
CLK2 P49760 3/20 0.42
CLK4 Q9HAZ1 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CHEK1 O14757 1/20 0.42
MAPK1 P28482 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
SCHEMBL5564937 0.96 TBXAS1 (0.59) TBXAS1CLK1DYRK1ADYRK1BBCL2L1
SCHEMBL5559819 0.82 TBXAS1 (0.61) TBXAS1CLK1DYRK1ADYRK1BBCL2L1
SCHEMBL5764549 0.81 TBXAS1 (0.56) TBXAS1CLK1DYRK1ADYRK1BBCL2L1
SCHEMBL7336540 0.81 TBXAS1 (0.57) TBXAS1
SCHEMBL5564274 0.81 KDM4E (0.58) TBXAS1CLK1DYRK1ADYRK1BBCL2L1
SCHEMBL5564923 0.80 TBXAS1 (0.56) TBXAS1CLK1DYRK1ADYRK1BBCL2L1
SCHEMBL1867721 0.79 CLK1 (0.68) CLK1DYRK1ADYRK1BBCL2L1CLK2
SCHEMBL5566031 0.78 TBXAS1 (0.54) TBXAS1CLK1DYRK1ADYRK1BBCL2L1
SCHEMBL10949789 0.75 TBXAS1 (0.48) TBXAS1CLK1DYRK1ADYRK1BPPARA
SCHEMBL3498109 0.74 F9 (0.50) TBXAS1CLK1BCL2L1

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 6 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 claimed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 US claimed
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 TBXAS1 3283/4885CLK1 2625/4885DYRK1A 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.