SCHEMBL5287431

SCHEMBL5287431

CCC1(C)CC(S(=O)(=O)C(F)(F)c2ccccc2)=NO1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
RIPK1 Q13546 1/20 0.33
AKT1 P31749 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL5286145 0.79 CA1 (0.33) CA1CA2
SCHEMBL5281888 0.75 HSD11B1 (0.30)
SCHEMBL5298836 0.75 ALDH1A1 (0.39) CA1CA2CA5ACA9MTOR
SCHEMBL3154153 0.72 CA1 (0.33) CA1CA2CA5ACA9
SCHEMBL20870965 0.65 NPSR1 (0.41)
SCHEMBL4124865 0.62 CA1 (0.67) CA1CA2CA5ACA9
SCHEMBL3163800 0.60 CA1 (0.31) CA1CA2
SCHEMBL7126033 0.59 CA1 (0.61) CA1CA2CA5ACA9
SCHEMBL1759497 0.59 AKR1C3 (0.30)
SCHEMBL25377058 0.57 CA1 (0.48) CA1CA2CA5ACA9RIPK1

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 CA1 3742/4885CA2 1839/4885CA5A 3129/4885

“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.