SCHEMBL3683786

SCHEMBL3683786

Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(C)cc(F)c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.39
HTR6 P50406 3/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.37
KLK7 P49862 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
ALDH3A1 P30838 1/20 0.35
HTT P42858 1/20 0.35
NOD1 Q9Y239 1/20 0.35
ALK Q9UM73 1/20 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
SCHEMBL17504513 0.91 CA1 (0.48) CA1CA2KDM4EUBE2NHTR6
SCHEMBL30370063 0.91 CA1 (0.48) CA1CA2KDM4EUBE2NHTR6
SCHEMBL13257987 0.86 CA1 (0.51) CA1CA2KDM4EUBE2NHTR6
SCHEMBL17504524 0.85 CA1 (0.43) CA1CA2KDM4EUBE2NHTR6
SCHEMBL13257984 0.84 CA1 (0.49) CA1CA2KDM4EUBE2NHTR6
SCHEMBL13257979 0.84 CA1 (0.49) CA1CA2KDM4EUBE2NHTR6
SCHEMBL25771723 0.83 CA1 (0.48) CA1CA2KDM4EUBE2NHTR6
SCHEMBL25771732 0.81 CA1 (0.49) CA1CA2KDM4EUBE2NHTR6
SCHEMBL25422952 0.81 CA1 (0.46) CA1CA2KDM4EUBE2NHTR6
SCHEMBL25424146 0.79 CA1 (0.47) CA1CA2KDM4EUBE2NHTR6

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-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 US disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 WO disclosed
EP-1813611-B1 1-SUBSTITUTED-3- BETA-D-GLYCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2014-10-01 EP disclosed
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1813611-A1 1-SUBSTITUTED-3- BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (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-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME SLC5A1, SLC5A2, UGGT1 CA1 3165/4885CA2 944/4885KDM4E 3629/4885
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION IDO1, IDO2, INMT CA1 1863/4885CA2 2322/4885KDM4E 545/4885

“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.