SCHEMBL418659

SCHEMBL418659

NNS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
PTGES2 Q9H7Z7 1/20 0.53
MMP1 P03956 2/20 0.51
CYP19A1 P11511 1/20 0.51
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
MAPT P10636 1/20 0.49
HSD11B1 P28845 1/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
MEN1 O00255 1/20 0.47
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.46

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
SCHEMBL13588309 0.83 CA1 (0.56) KIF11CA1CA2PTGES2MMP1
SCHEMBL1706125 0.82 SMN1; SMN2 (0.59) CA1CA2MMP1CA9CA12
SCHEMBL419881 0.79 ALDH1A1 (0.68) CA1CA2SLC1A2MAPTMEN1
SCHEMBL2371994 0.79 ALDH1A1 (0.68) KIF11CA1CA2PTGES2MMP1
SCHEMBL22446711 0.79 CA1 (0.53) KIF11CA1CA2PTGES2MMP1
SCHEMBL12054697 0.79 CA1 (0.53) KIF11CA1CA2PTGES2MMP1
SCHEMBL2498363 0.79 MMP1 (0.62) KIF11CA1CA2MMP1CYP19A1
SCHEMBL2371991 0.79 CA1 (0.53) KIF11CA1CA2PTGES2MMP1
SCHEMBL31027115 0.79 CYP1A2 (0.46) CA1CA2MMP1CA9CA12
SCHEMBL14601685 0.78 MEN1 (0.65) KIF11CA1CA2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162046-A Alkynyl sulfone derivative and preparation method and application thereof 云南民族大学 2023-05-26 CN claimed
CN-115821292-A Gamma-sulfonyl internal etherification derivative and preparation method thereof 江西师范大学 2023-03-21 CN claimed
CN-110590667-B 3-trifluoromethyl substituted pyrazole derivative and synthesis method and application thereof 华南理工大学 2020-12-22 CN claimed
CN-110698368-A Preparation method of (E) -3-phenyl-3-benzenesulfonyl acrylate compound 湖南大学 2020-01-17 CN claimed
CN-110590667-A 3-trifluoromethyl substituted pyrazole derivative and synthesis method and application thereof 华南理工大学 2019-12-20 CN claimed
CN-118184582-A 4-Seleno-1-benzenesulfonyl pyrazole compound and electrochemical synthesis method and application thereof 延安大学 2024-06-14 CN disclosed
CN-117535689-A Method for synthesizing sulfonamide through decarbonylation of N, N-dimethylformamide and denitrification of sulfonyl hydrazide under electrochemical condition 湘潭大学 2024-02-09 CN disclosed
CN-116162046-A Alkynyl sulfone derivative and preparation method and application thereof 云南民族大学 2023-05-26 CN disclosed
CN-115821292-A Gamma-sulfonyl internal etherification derivative and preparation method thereof 江西师范大学 2023-03-21 CN disclosed
CN-111978216-B Preparation method of beta-carbonyl sulfone compound 西南医科大学 2023-02-03 CN disclosed
CN-112920123-B 3-aryl-6-aralkyl-1, 4,5, 6-tetrahydropyrazines compound and preparation method and application thereof 江苏冠瑜生物科技有限公司 2022-09-16 CN disclosed
CN-112920123-A 3-aryl-6-aralkyl-1, 4,5, 6-tetrahydropyrazines compound and preparation method and application thereof 苏州大学 2021-06-08 CN disclosed
US-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES INC. (US) 2011-05-19 US disclosed
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. 2010-10-07 US disclosed
CN-101641092-A Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods of treating hemorrhagic fever viruses, including treatment of arenavirus-associated infections SIGA TECHNOLOGIES INC US 2010-02-03 CN disclosed
EP-2124921-A2 SULFONYL SEMICARBAZIDES, CARBONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2009-12-02 EP disclosed
US-20090203675-A1 Sulfonyl Semicarbazides, Semicarbazides and Ureas, Pharmaceutical Compositions Thereof, and Methods for Treating Hemorrhagic Fever Viruses, Including Infections Associated with Arena Viruses SIGA TECHNOLOGIES, INC. (US) 2009-08-13 US disclosed
WO-2008147474-A2 SULFONYL SEMICARBAZIDES, CARBONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2008-12-04 WO disclosed
EP-1827446-A2 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2007-09-05 EP disclosed
WO-2006062898-A2 COMPOUNDS AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES SIGA TECHNOLOGIES, INC. (US) 2006-06-15 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-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SORD, GBA1, GK KIF11 722/4885CA1 4154/4885CA2 3268/4885
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses GBA1, SORD, GK KIF11 624/4885CA1 4296/4885CA2 3236/4885
US-20090203675-A1 Sulfonyl Semicarbazides, Semicarbazides and Ureas, Pharmaceutical Compositions Thereof, and Methods for Treating Hemorrhagic Fever Viruses, Including Infections Associated with Arena Viruses GBA1, GK, GCK KIF11 985/4885CA1 3702/4885CA2 3360/4885

“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.