SCHEMBL6112136

SCHEMBL6112136

CCCCCNS(=O)(=O)NC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.58
CA1 P00915 4/20 0.58
PPARA Q07869 4/20 0.57
CA12 O43570 3/20 0.54
CA14 Q9ULX7 3/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 1/20 0.53
EPHX1 P07099 1/20 0.43

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
SCHEMBL3221256 0.82 CA2 (0.60) CA2CA1PPARACA12CA14
SCHEMBL7085537 0.81 CA2 (0.63) CA2CA1PPARACA12CA14
SCHEMBL7081057 0.81 CA2 (0.63) CA2CA1PPARACA12CA14
SCHEMBL4563383 0.79 PPARA (0.86) CA2CA1PPARACA12CA14
SCHEMBL9285865 0.77 PPARA (0.91) CA2CA1PPARACA12CA14
SCHEMBL10892940 0.77 PPARA (0.91) CA2CA1PPARACA12CA14
SCHEMBL3792249 0.77 PPARA (0.91) CA2CA1PPARACA12CA14
SCHEMBL5127346 0.76 CA2 (0.64) CA2CA1PPARACA12CA14
SCHEMBL3879124 0.75 CA12 (0.34) CA2CA1CA12CA14CA7
Acetic Acid SCHEMBL28034181 0.75 CA2 (0.52) CA2CA1PPARACA12CA14

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-7057043-B2 Processes for preparing aminophenylsulfonylureas, and intermediates therefor HOECHST SCHERING AGREVO GMBH (DE) 2006-06-06 US disclosed
US-20050033047-A1 Processes for preparing aminophenylsulfonylureas, and intermediates therefor BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-02-10 US disclosed
US-6790955-B2 REACTING 2-SULFONAMIDO, NITROBENZOIC ACID COMPOUND WITH IN THE PRESENCE OF A HALOGENATING AGENT, WITH FORMATION OF THE CARBONYL HALIDE AND ITS REARRANGEMENT; AMMONOLYSIS AT SO2CL GROUP REDUCING AT THE NITRO GROUP; REACTING WITH CARBAMATE HOECHST SCHERING AGREVO GMBH (DE) 2004-09-14 US disclosed
US-20030096991-A1 Processes for the preparation of aminophenylsulfonyl-ureas and intermediate products for the processes BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-05-22 US disclosed
US-6500952-B1 SUCH AS 5-AMINO-2-DIMETHYLAMINOCARBONYL-N-((4,6-DIMETHOXY-PYRIMIDIN-2-YL) -AMINOCARBONYL)BENZENESULFONAMIDE; HERBICIDES OR PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 2002-12-31 US disclosed
US-4853025-A HERBCIDES E. I. DU PONT DE NEMOUR AND COMPANY (US) 1989-08-01 US disclosed
US-4853025-A HERBCIDES E. I. DU PONT DE NEMOUR AND COMPANY (US) 1989-08-01 US disclosed
US-4746355-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-24 US disclosed
US-4746355-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-24 US disclosed
US-4609395-A Novel benzylsulfonylureas and arylsulfamoylureas N-[(substituted pyrimidin-2-yl)aminocarbonyl]-1-oxo-fused benzyl-7-methanesulfonamides useful as herbicides and plant growth regulants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-02 US disclosed
US-4609395-A Novel benzylsulfonylureas and arylsulfamoylureas N-[(substituted pyrimidin-2-yl)aminocarbonyl]-1-oxo-fused benzyl-7-methanesulfonamides useful as herbicides and plant growth regulants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-02 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 (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-20050033047-A1 Processes for preparing aminophenylsulfonylureas, and intermediates therefor HNMT, PRMT3, CBR3 CA2 616/4885CA1 121/4885PPARA 2825/4885
US-20030096991-A1 Processes for the preparation of aminophenylsulfonyl-ureas and intermediate products for the processes HNMT, CPS1, HRH4 CA2 1645/4885CA1 389/4885PPARA 2108/4885

“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.