SCHEMBL8968231

SCHEMBL8968231

O=C1CS(=O)(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.49
CASP3 P42574 1/20 0.49
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPRC P08575 3/20 0.45
S100A4 P26447 2/20 0.45
ALDH1A1 P00352 2/20 0.42
EGFR P00533 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
PDE4D Q08499 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6591835 0.80 PNMT (0.44) CAPN9CASP3CA9CA12MEN1
SCHEMBL27542353 0.78 CAPN9 (0.54) CAPN9CASP3CA9MEN1KMT2A
SCHEMBL9302358 0.76 CA9 (0.54) CAPN9CASP3CA9CA12MEN1
SCHEMBL10422385 0.73 PTPRC (0.49) CAPN9CASP3CA9CA12MEN1
SCHEMBL30059698 0.73 PTPRC (0.49) CAPN9CASP3CA9CA12MEN1
SCHEMBL8968246 0.72 SNCA (0.48) CAPN9CASP3CA9CA12MEN1
SCHEMBL29850976 0.72 CAPN9 (0.51) CAPN9CASP3CA9MEN1KMT2A
SCHEMBL2616922 0.71 CAPN9 (0.58) CAPN9CASP3CA9MEN1KMT2A
SCHEMBL8968330 0.69 CAPN9 (0.44) CAPN9CASP3CA9CA12MEN1
SCHEMBL8968000 0.68 CA12 (0.47) CAPN9CASP3CA9CA12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478659-B1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2022-08-17 EP claimed
US-20190335753-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-11-07 US claimed
CN-109476606-B Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2023-01-20 CN disclosed
EP-3478659-B1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2022-08-17 EP disclosed
US-11219214-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-01-11 US disclosed
US-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-15 US disclosed
US-10736321-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-11 US disclosed
US-20190335753-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-11-07 US disclosed
US-5504095-A Aminobenzosultam derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-04-02 US disclosed
EP-0549666-B1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1994-11-23 EP disclosed
EP-0549666-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS. PFIZER (US) 1993-07-07 EP disclosed
WO-1992005164-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1992-04-02 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 (4 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-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 CAPN9 2194/4885CASP3 165/4885CA9 2944/4885
US-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 CAPN9 2194/4885CASP3 165/4885CA9 2944/4885
US-20190335753-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 CAPN9 2194/4885CASP3 165/4885CA9 2944/4885
US-11219214-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 CAPN9 2194/4885CASP3 165/4885CA9 2944/4885

“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.