SCHEMBL2105993

SCHEMBL2105993

O=[N+]([O-])c1cccc(-c2c(Br)[c]c(Br)cc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
MAPT P10636 3/20 0.33
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
LMNA P02545 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL2104439 0.88 HSD11B1 (0.35) PTGS2CA2CA1MMP1MMP2
SCHEMBL2102804 0.83 PTPN1 (0.35) CA2CA1
SCHEMBL2105992 0.80 MMP1 (0.35) KMT2AGAAMEN1ALDH1A1CA2
SCHEMBL2106680 0.80 EPAS1 (0.37) PDE4APDE4CPDE4D
SCHEMBL2103269 0.77 MAPT (0.35) KMT2AGAAMEN1ALDH1A1JAK2
SCHEMBL2105340 0.77 PTGS2 (0.33) PTGS2
SCHEMBL2104840 0.77 EPAS1 (0.32)
SCHEMBL2106885 0.77 PTGS2 (0.32) PTGS2ALDH1A1CA2CA1CA9
SCHEMBL2106738 0.77 JAK2 (0.36) GAAALDH1A1JAK2TYK2MAPT
SCHEMBL2102822 0.77 EPAS1 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563736-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 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 (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-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 PTGS2 2317/4885KMT2A 1594/4885GAA 2459/4885

“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.