SCHEMBL6679458

SCHEMBL6679458

O=C1CS(=O)(=O)Nc2ccc(I)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.43
CES1 P23141 1/20 0.43
TDP2 O95551 2/20 0.37
LRRK2 Q5S007 1/20 0.35
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
MAPT P10636 6/20 0.31
APP P05067 4/20 0.31
RAF1 P04049 3/20 0.31
MAP1LC3B Q9GZQ8 2/20 0.31
RECQL P46063 2/20 0.31
HSD17B10 Q99714 2/20 0.31
EGFR P00533 1/20 0.31
NTRK1 P04629 1/20 0.31
ARAF P10398 1/20 0.31

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
SCHEMBL29851156 1.00 TGM2 (0.43) TGM2CES1TDP2LRRK2CCNB2
SCHEMBL11713736 0.82 KDM4E (0.42) GSK3BMAPTRECQLHSD17B10NTRK1
SCHEMBL21530513 0.79 CA1 (0.42) LRRK2MAPTCYP1A2CYP2C19KMT2A
SCHEMBL7009777 0.79 TGM2 (0.43) TGM2CES1LRRK2CCNB2CDK1
SCHEMBL29851033 0.79 CA1 (0.42) LRRK2MAPTCYP1A2CYP2C19KMT2A
SCHEMBL29851297 0.79 TGM2 (0.43) TGM2CES1LRRK2CCNB2CDK1
SCHEMBL21377067 0.77 TDP2 (0.36) TGM2CES1TDP2CA1CA2
SCHEMBL21530541 0.76 PARP1 (0.41) TDP2MEN1NFKB1KMT2ACA1
SCHEMBL21530478 0.76 PDE3B (0.55) LRRK2MAPTCYP1A2POLBCYP2C9
SCHEMBL29850920 0.76 PDE3B (0.55) LRRK2MAPTCYP1A2POLBCYP2C9

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 9 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
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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US disclosed
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (5 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 TGM2 624/4885CES1 2140/4885TDP2 885/4885
US-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 TGM2 624/4885CES1 2140/4885TDP2 885/4885
US-20190335753-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 TGM2 624/4885CES1 2140/4885TDP2 885/4885
US-11219214-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 TGM2 624/4885CES1 2140/4885TDP2 885/4885
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 TGM2 2877/4885CES1 2023/4885TDP2 1092/4885

“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.