SCHEMBL6012073

SCHEMBL6012073

COC(=O)c1ccc(I)cc1S(=O)(=O)N=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA5A P35218 1/20 0.40
KDM4E B2RXH2 7/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CDK1 P06493 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 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
SCHEMBL9139927 0.85 CA1 (0.40) CA2CA1CA9KDM4EHSD17B10
SCHEMBL9139455 0.85 CA12 (0.40) CA2CA1CA9KDM4EHSD17B10
SCHEMBL11374760 0.84 KDM4E (0.50) CA2CA1CA9CA5AKDM4E
SCHEMBL11334105 0.83 ABL1 (0.50) CA2CA1CA9CA5AKDM4E
SCHEMBL6534338 0.83 KDM4E (0.44) CA2CA1CA9CA5AKDM4E
SCHEMBL10396139 0.82 CA1 (0.39) CA2CA1CA9CA5AKDM4E
SCHEMBL9814857 0.81 GAA (0.39) CA2CA1CA9CA5AKDM4E
SCHEMBL6228820 0.80 CA1 (0.59) CA2CA1CA9CA5AKDM4E
SCHEMBL8668287 0.79 CA2 (0.46) CA2CA1CA9CA5AKDM4E
SCHEMBL9814815 0.79 TDP1 (0.42) CA2CA1CA9CA5AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US claimed
US-20170121294-A1 PROCESS FOR PREPARING A NOVEL CRYSTALLINE FORM OF IODOSULFURON-METHYL-SODIUM AND USE OF THE SAME ROTAM AGROCHEM INTERNATIONAL COMPANY LIMITED (HK) 2017-05-04 US disclosed
US-20170121294-A1 PROCESS FOR PREPARING A NOVEL CRYSTALLINE FORM OF IODOSULFURON-METHYL-SODIUM AND USE OF THE SAME ROTAM AGROCHEM INTERNATIONAL COMPANY LIMITED (HK) 2017-05-04 US disclosed
CN-101200452-A Method for producing substituted phenylsulfonyl carbamides from sulfohalogenides AVENTIS CROPSCIENCE GMBH (DE) 2008-06-18 CN disclosed
CN-100368405-C Method for producing substituted phenylsulfonyl ureas from sulfonyl halides AVENTIS CROPSCIENCE GMBH (DE) 2008-02-13 CN disclosed
US-7026477-B1 Process for preparing substituted phenylsulfonylureas from sulfonyl halides AVENTIS CROPSCIENCE GMBH (DE) 2006-04-11 US disclosed
CN-1630647-A Method for producing substituted phenylsulfonyl ureas from sulfonyl halides AVENTIS CROPSCIENCE GMBH (DE) 2005-06-22 CN disclosed
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 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 (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-20170121294-A1 PROCESS FOR PREPARING A NOVEL CRYSTALLINE FORM OF IODOSULFURON-METHYL-SODIUM AND USE OF THE SAME SCLY, STS, MPST CA2 701/4885CA1 355/4885CA9 102/4885

“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.