SCHEMBL2979899

SCHEMBL2979899

CCC(=O)Nc1ccc(C(=O)N(C)C)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1.[Na]

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.74
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL6107089 0.99 CDK1 (0.75) CDK1GAATP53GLAMAPT
SCHEMBL2979898 0.98 CDK1 (0.74) CDK1GAATP53GLAMAPT
SCHEMBL6906777 0.91 CDK1 (0.63) CDK1GAATP53GLAMAPT
SCHEMBL6105235 0.90 CDK1 (0.82) CDK1GAATP53GLAMAPT
SCHEMBL5847836 0.90 CDK1 (0.78) CDK1GAATP53GLAMAPT
SCHEMBL28551087 0.89 CDK1 (0.79) CDK1GAATP53GLAMAPT
SCHEMBL6106106 0.89 CDK1 (0.79) CDK1GAATP53GLAMAPT
SCHEMBL2977298 0.89 CDK1 (0.79) CDK1GAATP53GLAMAPT
SCHEMBL6912875 0.88 CDK1 (0.73) CDK1GAATP53GLAMAPT
SCHEMBL5847825 0.88 CDK1 (0.78) CDK1GAATP53GLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141531-B2 For protecting crop plants from phytotoxic side effects of herbicides HOECHST SCHERING AGREVO GMBH (DE) 2006-11-28 US claimed
US-20060148647-A1 Combinations of phenylsulfonylurea herbicides and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-06 US claimed
US-20040157737-A1 For protecting crop plants from phytotoxic side effects of herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-08-12 US claimed
US-6743754-B2 A SULFONYLUREA AND ONE OR MORE SURFACTANTS COMPRISING AS STRUCTURAL ELEMENT AT LEAST 10 ALKYLENE OXIDE UNITS. AVENTIS CROPSCIENCE GMBH (DE) 2004-06-01 US claimed
US-8901036-B2 Combinations of phenylsulfonylurea herbicides and safeners BAYER CROPSCIENCE AG (DE) 2014-12-02 US disclosed
US-7781611-B2 Nitro-sulfobenzamides AVENTIS CROPSCIENCE GMBH (DE) 2010-08-24 US disclosed
EP-1242386-B1 NITRO-SULFOBENZAMIDES BAYER CROPSCIENCE AG (DE) 2009-08-26 EP disclosed
US-7141531-B2 For protecting crop plants from phytotoxic side effects of herbicides HOECHST SCHERING AGREVO GMBH (DE) 2006-11-28 US disclosed
US-20060148647-A1 Combinations of phenylsulfonylurea herbicides and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-06 US disclosed
US-20040157737-A1 For protecting crop plants from phytotoxic side effects of herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-08-12 US disclosed
US-6743754-B2 A SULFONYLUREA AND ONE OR MORE SURFACTANTS COMPRISING AS STRUCTURAL ELEMENT AT LEAST 10 ALKYLENE OXIDE UNITS. AVENTIS CROPSCIENCE GMBH (DE) 2004-06-01 US disclosed
US-6569805-B1 Synergistic mixture of certain phenylsulfonylureas and/or their salts and vegetable oils for controlling weeds in crops AVENTIS CROPSCIENCE GMBH (DE) 2003-05-27 US disclosed
US-6498253-B1 Acylated aminophenylsulfonylureas, processes for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2002-12-24 US disclosed
EP-1242386-A1 NITRO-SULFOBENZAMIDES Bayer CropScience GmbH (DE) 2002-09-25 EP disclosed
US-20010020092-A1 Nitro-sulfobenzamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-09-06 US disclosed
WO-2001042226-A1 NITRO-SULFOBENZAMIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-06-14 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 (3 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-20060148647-A1 Combinations of phenylsulfonylurea herbicides and safeners QSOX1, CYP2W1, SULT2A1 CDK1 888/4885GAA 2124/4885TP53 874/4885
US-20010020092-A1 Nitro-sulfobenzamides SULT1A1, SULT2A1, SULT1E1 CDK1 1477/4885GAA 3954/4885TP53 4380/4885
US-20040157737-A1 For protecting crop plants from phytotoxic side effects of herbicides GSTO1, CYP1A1, HAO2 CDK1 2095/4885GAA 1201/4885TP53 2235/4885

“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.