SCHEMBL6226409

SCHEMBL6226409

CC(C)OC(=O)c1ccccc1S(=O)(=O)N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CA5A P35218 1/20 0.41
PDK2 Q15119 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CA12 O43570 4/20 0.38
CA7 P43166 4/20 0.38
CA14 Q9ULX7 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL11334652 0.89 CA1 (0.39) NPC1CA1CA2CA9CA5A
SCHEMBL9138762 0.87 NPC1 (0.43) NPC1CA1CA2CA9CA5A
SCHEMBL6228820 0.84 CA1 (0.59) NPC1CA1CA2CA9CA5A
SCHEMBL10762540 0.82 CA1 (0.37) NPC1CA1CA2CA9CA5A
SCHEMBL9139455 0.81 CA12 (0.40) NPC1CA1CA2CA9PDK2
SCHEMBL9023824 0.81 CA12 (0.40) NPC1CA1CA2CA9CA12
SCHEMBL30806173 0.80 TSHR (0.56) NPC1CA1CA2CA9CA5A
SCHEMBL9188413 0.80 TSHR (0.56) NPC1CA1CA2CA9CA5A
SCHEMBL7029099 0.80 NPC1 (0.44) NPC1CA1CA2CA9PDK2
SCHEMBL7023390 0.79 NPC1 (0.43) NPC1CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046626-B1 SUBSTITUTED BENZENESULFONYL ISOCYANATES AND PREPARATION THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-08 EP claimed
EP-0046626-A2 Substituted benzenesulfonyl isocyanates and preparation thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-03 EP claimed
US-4238621-A CARBONYLBENZENESULFONYL ISOCYANATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-12-09 US claimed
EP-1113009-B1 A process for the manufacture of the salts of sulfonylaminocarbonyl triazolinones BAYER AG (US) 2005-03-30 EP disclosed
EP-0683157-B1 Sulfonylaminocarbonyltriazolinones as herbicides BAYER CROPSCIENCE AG (DE) 2004-05-26 EP disclosed
EP-1113009-A1 A process for the manufacture of the salts of sulfonylaminocarbonyl triazolinones Bayer Corporation (US) 2001-07-04 EP disclosed
US-6160125-A Process for the manufacture of sulfonylaminocarbonyl triazolinones in the presence of xylene as solvent BAYER CORPORATION (US) 2000-12-12 US disclosed
US-6147221-A Process for the manufacture of sulfonylaminocarbonyl triazolinones and salts thereof BAYER CORPORATION (US) 2000-11-14 US disclosed
US-6147222-A Process for the manufacture of sulfonylaminocarbonyl triazolinones and salts thereof under pH controlled conditions BAYER CORPORATION (US) 2000-11-14 US disclosed
US-5869681-A PREPARING TRIAZOLINONE INTERMEDIATE BY HEATING HYDROCARBYLOXYCARBONYL-ISOSEMICARBAZIDE TO CYCLIZE BAYER AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
EP-0431291-B1 Sulfonylaminocarbony-triazolinones having substituents attached through sulfur BAYER AG (DE) 1998-07-29 EP disclosed
EP-0057546-A2 Sulfonylurea N-oxides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-11 EP disclosed
US-4342587-A Herbicidal pyridinsulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-03 US disclosed
EP-0046626-A2 Substituted benzenesulfonyl isocyanates and preparation thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-03 EP disclosed
US-4305884-A 0-CARBONYLBENZENESULFONYL ISOCYANATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-15 US disclosed
EP-0034431-A2 2-Isocyanatosulfonylbenzoic acid esters and preparation thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-26 EP disclosed
EP-0030138-A1 Herbicidal sulfonamides, and compositions, preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed
EP-0023140-A2 Herbicidal sulfonamides, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 EP disclosed
US-4238621-A CARBONYLBENZENESULFONYL ISOCYANATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-12-09 US disclosed
EP-0007687-A1 Sulfonamides, processes for their preparation, compositions containing said sulfonamides and a method for controlling the growth of vegetation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-02-06 EP disclosed