SCHEMBL2900306

SCHEMBL2900306

COc1ccc(C(=O)O)cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PYGL P06737 18/20 0.83
HDAC1 Q13547 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
TTR P02766 1/20 0.53

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
SCHEMBL2904472 0.91 PYGL (1.00) PYGLHDAC1HDAC8HDAC6
SCHEMBL6509535 0.82 PYGL (0.83) PYGLHDAC1HDAC8HDAC6
SCHEMBL6516959 0.81 PYGL (0.66) PYGLHDAC1HDAC8HDAC6
SCHEMBL12305513 0.80 PYGL (0.67) PYGLHDAC1HDAC8HDAC6
SCHEMBL4699966 0.77 PYGL (0.72) PYGLHDAC1HDAC8HDAC6
SCHEMBL18500908 0.77 ALDH1A1 (0.74) PYGL
SCHEMBL4699957 0.76 PYGL (0.71) PYGLHDAC1HDAC8HDAC6
SCHEMBL12305525 0.76 PYGL (0.62) PYGLHDAC1HDAC8HDAC6
SCHEMBL6066438 0.76 MEN1 (0.59) HDAC1HDAC8HDAC6TTR
SCHEMBL13964448 0.76 HDAC1 (0.72) PYGLHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497262-B1 ACYL-4-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2010-08-04 EP disclosed
EP-1497263-B1 ACYL-3-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-08-13 EP disclosed
US-7223796-B2 Acyl-4-carboxyphenylurea derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-7078404-B2 Acyl-3-carboxyphenylurea derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-18 US disclosed
EP-1497263-A1 ACYL-3-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-01-19 EP disclosed
EP-1497262-A1 ACYL-4-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-01-19 EP disclosed
US-20040077716-A1 Acyl-4-carboxyphenylurea derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-04-22 US disclosed
US-20030216370-A1 Acyl-3-carboxyphenylurea derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-11-20 US disclosed
WO-2003084923-A1 ACYL-3-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-16 WO disclosed
WO-2003084922-A1 ACYL-4-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-16 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 (2 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-20030216370-A1 Acyl-3-carboxyphenylurea derivatives, processes for preparing them and their use CPS1, AGPAT2, GLS PYGL 569/4885HDAC1 3536/4885HDAC8 4261/4885
US-20040077716-A1 Acyl-4-carboxyphenylurea derivatives, processes for preparing them and their use DPP4, CPS1, GLS PYGL 393/4885HDAC1 3279/4885HDAC8 4072/4885

“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.