SCHEMBL2104439

SCHEMBL2104439

O=[N+]([O-])c1ccc(-c2c(Br)[c]c(Br)cc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
CA2 P00918 4/20 0.34
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
CA5A P35218 2/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
PTGS2 P35354 1/20 0.32
FFAR4 Q5NUL3 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
PSD A5PKW4 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL2105993 0.88 PTGS2 (0.34) CA2MMP1MMP2MMP9MMP8
SCHEMBL2105340 0.84 PTGS2 (0.33) PTGS2
SCHEMBL2105582 0.83
SCHEMBL2105602 0.83
SCHEMBL2104893 0.81 HSD11B1 (0.33) HSD11B1CA2CA1CA9CA12
SCHEMBL2105992 0.80 MMP1 (0.35) HSD11B1CA2MMP1MMP2MMP9
SCHEMBL2102822 0.79 EPAS1 (0.31)
SCHEMBL2102804 0.77 PTPN1 (0.35) CA2CA1
SCHEMBL15324765 0.76
SCHEMBL15324786 0.76

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 HSD11B1 1240/4885CA2 1205/4885MMP1 2281/4885

“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.