SCHEMBL22326600

SCHEMBL22326600

O=S1(=O)Cc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
KIF11 P52732 5/20 0.39
PNMT P11086 4/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC40A1 Q9NP59 2/20 0.36
PTK2B Q14289 1/20 0.36
NFKBIA P25963 1/20 0.36
RELA Q04206 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
CYBB P04839 1/20 0.35
NOX3 Q9HBY0 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
NOX1 Q9Y5S8 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
SCHEMBL20109740 0.83 CCNC (0.36) KIF11MEN1KMT2APTK2BRELA
SCHEMBL29851024 0.79 PARP1 (0.41) TDP2KIF11PARP1PARP10CA1
SCHEMBL21530541 0.79 PARP1 (0.41) TDP2KIF11PARP1PARP10CA1
SCHEMBL4577378 0.74 MAPT (0.41) CA1CA2MEN1KMT2A
SCHEMBL21377067 0.73 TDP2 (0.36) TDP2PNMTCA1CA2
SCHEMBL7904180 0.73 CA1 (0.42) PARP1PARP10CA1CA2SLC40A1
SCHEMBL15661473 0.73 CA2 (0.42) TDP2PNMTPARP1PARP10CA1
SCHEMBL36942249 0.73 CA2 (0.42) TDP2PNMTPARP1PARP10CA1
SCHEMBL4898485 0.72 KIF11 (0.59) TDP2KIF11PARP10
SCHEMBL8317304 0.70 DPP7 (0.37) TDP2CA1CA2HRH4

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TDP2 885/4885KIF11 4725/4885PNMT 84/4885
US-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 TDP2 885/4885KIF11 4725/4885PNMT 84/4885
US-11219214-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 TDP2 885/4885KIF11 4725/4885PNMT 84/4885

“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.