SCHEMBL1028093

SCHEMBL1028093

Cn1nc(C(F)(F)F)c(CS(=O)(=O)c2ncco2)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1028374 0.87 ALDH1A1 (0.41) GAAMAPTL3MBTL1LMNAMEN1
SCHEMBL1223295 0.85 GAA (0.33) GAAMAPTL3MBTL1LMNAMEN1
SCHEMBL1223797 0.84 MAPT (0.32) GAAMAPTL3MBTL1LMNAMEN1
SCHEMBL1222406 0.82 MAPT (0.31) GAAMAPTL3MBTL1LMNAMEN1
SCHEMBL1027291 0.72 MPO (0.35) GAAMAPTL3MBTL1LMNAMEN1
SCHEMBL1222844 0.72
SCHEMBL1027309 0.71
SCHEMBL13055879 0.69 GAA (0.33) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL2203131 0.67
SCHEMBL1411552 0.66 KDM4E (0.41) MAPTLMNAHTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274305-B1 2-[(1H-PYRAZOL-4-YLMETHYL)-SULFONYL]-OXAZOLE DERIVATIVES, 2-[(1H-PYRAZOL-4-YLMETHYL)-SULFANYL]-OXAZOLE DERIVATIVES AND CHIRAL 2-[(1H-PYRAZOL-4-YLMETHYL)-SULFINYL]-OXAZOLE DERIVATIVES, METHOD FOR PRODUCTION OF SAME AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2015-11-25 EP disclosed
US-8216973-B2 2-[(1H-pyrazole-4-ylmethyl)-sulfonyl]-oxazole-derivative, 2-[(1H-pyrazole-4-ylmethyl)-sulfanyl]-oxazole-derivatives, and chiral 2-[(1H-pyrazole-4-ymethyl)sulfinyl]oxazole derivatives, methods for the production thereof, and use thereof as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-07-10 US disclosed
US-20110039696-A1 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFONYL] -OXAZOL-DERIVATIVE, 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFANYL] -OXAZOL-DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOL-4-YMETHYL)SULFINYL]OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
EP-2274305-A2 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFONYL]-OXAZOLE DERIVATIVES, 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFANYL]-OXAZOLE DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFINYL]-OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2011-01-19 EP disclosed
WO-2009129954-A2 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFONYL]-OXAZOLE DERIVATIVES, 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFANYL]-OXAZOLE DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFINYL]-OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-10-29 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-20110039696-A1 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFONYL] -OXAZOL-DERIVATIVE, 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFANYL] -OXAZOL-DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOL-4-YMETHYL)SULFINYL]OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS PDXK, STS, SYMPK GAA 1643/4885MAPT 4451/4885L3MBTL1 2292/4885

“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.