SCHEMBL2904472

SCHEMBL2904472

COc1cc(C(=O)O)ccc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PYGL P06737 19/20 1.00
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL6509535 0.91 PYGL (0.83) PYGLHDAC1HDAC8HDAC6
SCHEMBL2900306 0.91 PYGL (0.83) PYGLHDAC1HDAC8HDAC6
SCHEMBL4699966 0.84 PYGL (0.72) PYGLHDAC1HDAC8HDAC6
SCHEMBL4699957 0.83 PYGL (0.71) PYGLHDAC1HDAC8HDAC6
SCHEMBL20601617 0.79 PYGL (0.83) PYGLHDAC1HDAC8HDAC6
SCHEMBL16147794 0.78 KCNMA1 (0.67) PYGL
SCHEMBL20601662 0.77 PYGL (0.82) PYGLHDAC1HDAC8HDAC6
SCHEMBL2917610 0.75 PYGL (0.76) PYGL
SCHEMBL22871266 0.75 PYGL (0.64) PYGL
SCHEMBL6516959 0.75 PYGL (0.66) 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 8 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 claimed
EP-1497262-B1 ACYL-4-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2010-08-04 EP disclosed
EP-1404650-B1 CARBOXAMIDE-SUBSTITUTED PHENYLUREA DERIVATIVES AND METHOD FOR PRODUCTION THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-13 EP disclosed
US-20050143456-A1 Carboxamide-substituted phenylurea derivatives, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-30 US disclosed
US-6812250-B2 FOR THERAPY TYPE II DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-02 US disclosed
EP-1404650-A1 CARBOXAMIDE-SUBSTITUTED PHENYLUREA DERIVATIVES AND METHOD FOR PRODUCTION THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2004-04-07 EP disclosed
US-20030176497-A1 Carboxamide-substituted phenylurea derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-09-18 US disclosed
WO-2002096864-A1 CARBOXAMIDE-SUBSTITUTED PHENYLUREA DERIVATIVES AND METHOD FOR PRODUCTION THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-05 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-20050143456-A1 Carboxamide-substituted phenylurea derivatives, process for their preparation and their use as medicaments GLS, MPC2, PC PYGL 102/4885HDAC1 3052/4885HDAC8 3216/4885
US-20030176497-A1 Carboxamide-substituted phenylurea derivatives, process for their preparation and their use as medicaments GLS, PC, CPS1 PYGL 123/4885HDAC1 2691/4885HDAC8 3350/4885

“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.