SCHEMBL442606

SCHEMBL442606

O=S1(=O)C(c2ccccc2C(F)(F)F)=C(O)c2cccnc2N1CC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.40
RBP4 P02753 1/20 0.38
KCNN4 O15554 1/20 0.38
SLC6A7 Q99884 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
TNF P01375 1/20 0.34
CXCL8 P10145 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KMO O15229 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL441900 0.86 KDM4E (0.39) CA12MEN1KMT2AKDM4EELANE
SCHEMBL2373539 0.85 RBP4 (0.37) HSD11B1RBP4KCNN4SLC6A7CA12
SCHEMBL442286 0.84
SCHEMBL438893 0.84 DPP4 (0.33) KCNN4CA12CA9PAX8ALDH1A1
SCHEMBL442116 0.83 MAPT (0.39) HSD11B1RBP4KCNN4SLC6A7GAA
SCHEMBL441215 0.82 ITGB1 (0.38) HSD11B1RBP4SLC6A7GAAALDH1A1
SCHEMBL442117 0.76 RBP4 (0.38) HSD11B1RBP4SLC6A7GAAALDH1A1
SCHEMBL441216 0.75 ITGB1 (0.38) HSD11B1RBP4SLC6A7GAAALDH1A1
SCHEMBL409566 0.73 METAP2 (0.35) SLC6A7KMT2AALDH1A1CYP1A2
SCHEMBL271547 0.72 SCN5A (0.34) HSD11B1RBP4KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065065-A1 HERBICIDALLY ACTIVE PYRIDYLKETOSULTAMS BAYER CROPSCIENCE AG (DE) 2012-03-15 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-20120065065-A1 HERBICIDALLY ACTIVE PYRIDYLKETOSULTAMS PDXK, CBR3, CBR1 HSD11B1 1007/4885RBP4 2759/4885KCNN4 286/4885

“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.