SCHEMBL5657559

SCHEMBL5657559

O=C=NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.59
PRSS1 P07477 3/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.44
CYP19A1 P11511 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL11042885 0.84 KMT2A (0.45) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL5654867 0.80 VCAM1 (0.40) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6677573 0.79 GAA (0.36) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL11007951 0.79 ALDH1A1 (0.50) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL31259921 0.76 NFE2L2 (0.38) KMT2AALDH1A1TDP1
SCHEMBL5268908 0.76 NFE2L2 (0.38) KMT2AALDH1A1TDP1
SCHEMBL10864649 0.75 LMNA (0.43) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL30446303 0.75 KMT2A (1.00) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL11566827 0.75 KMT2A (1.00) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL2039879 0.75 KMT2A (1.00) F2PRSS1PRSS2PRSS3KMT2A

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4379769-A Process for preparing arylsulfonyl isocyanates by phosgenation of arylsulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-04-12 US claimed
CN-102540713-A Resin composition for laser engraving, relief printing plate precursor for laser engraving and process for producing same, and process for making relief printing plate FUJIFILM CORP 2012-07-04 CN disclosed
US-7030274-B2 Process for the production of carbodiimide modified organic isocyanates BAYER MATERIALSCIENCE LLC (US) 2006-04-18 US disclosed
US-20050282993-A1 Process for the production of carbodiimide modified organic isocyanates COVESTRO LLC 2005-12-22 US disclosed
EP-1607425-A1 Process for the production of carboiimide modified organic isocyanates Bayer MaterialScience LLC (US) 2005-12-21 EP disclosed
US-6413911-B1 REACTING A SULFONYL ISOCYANATE WITH A 2-AMINO-1,3,5-TRIAZINE OR 2-AMINOPYRIMIDINE, OR REACTING A SULFONAMIDE WITH A PHENYL CARBAMATE OR ISOCYANATE OF -1,3,5-TRIAZINE OR PYRIDINE BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-20020049321-A1 Herbicidal sulfonylureas, their preparation and use MAYER HORST (DE) 2002-04-25 US disclosed
US-6362247-B1 DEACTIVATION PHOSPHOLENE CATALYSTS ROHM AND HAAS COMPANY 2002-03-26 US disclosed
US-6320046-B1 A 2-AMINO-1,3,5-TRIAZINE AS CHEMICAL INTERMEDIATE; HIGH SELECTIVITY IN SENSITIVE CROPS BASF AKTIENGESELLSCHAFT (DE) 2001-11-20 US disclosed
EP-0628034-B1 N- (1,3,5-TRIAZINE-2-YL)AMINOCARBONYL]BENZENE SULPHONAMIDE HERBICIDES BASF AG (DE) 2000-12-20 EP disclosed
US-4379769-A Process for preparing arylsulfonyl isocyanates by phosgenation of arylsulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-04-12 US disclosed
EP-0073562-A2 Herbicidal triazole ureas E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-03-09 EP disclosed
US-4339266-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
US-4339267-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
US-4257802-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US disclosed
EP-0021641-A1 Process for preparing arylsulfonyl isocyanates by phosgenation of arylsulfonamides, and the products of the process and their use E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-07 EP disclosed
EP-0015683-A1 Herbicidal sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-17 EP disclosed
US-4214890-A PRE- AND POST-EMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-29 US disclosed
EP-0009419-A1 Agricultural sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-02 EP disclosed
EP-0001514-A2 Herbicidal sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-18 EP 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-20020049321-A1 Herbicidal sulfonylureas, their preparation and use SLC5A1, DDT, SLC5A2 F2 3887/4885PRSS1 3421/4885PRSS2 2186/4885

“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.