SCHEMBL5299088

SCHEMBL5299088

CC1(C)CC(S(=O)(=O)C(Cl)c2c(F)cccc2Cl)=NO1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
RIPK1 Q13546 1/20 0.30
SCN1A P35498 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3161820 0.92 CA1 (0.32)
SCHEMBL3150353 0.91 CA1 (0.31)
SCHEMBL3168111 0.81 CA1 (0.32) ALDH1A1
SCHEMBL3155336 0.80 CA1 (0.34)
SCHEMBL3154692 0.80 CA1 (0.32) ALDH1A1
SCHEMBL3154121 0.80 IL2 (0.33)
SCHEMBL3161088 0.78 CA1 (0.30)
SCHEMBL3163543 0.77 CA1 (0.34)
SCHEMBL3161089 0.76 CA1 (0.34)
SCHEMBL5289822 0.76 KDM4E (0.47) ALDH1A1GAALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161513-A1 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2007-07-12 US disclosed
WO-2007003294-A1 3-[1-HALO-1-ARYL-METHANE-SULFONYL]- AND 3-[1-HALO-1-HETEROARYL-METHANE-SULFONYL]-ISOXAZOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2007-01-11 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 (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-20070161513-A1 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators HDHD5, HAX1, OSR1 ALDH1A1 505/4885GAA 2083/4885LMNA 4644/4885

“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.