SCHEMBL1027343

SCHEMBL1027343

Cn1nc(C(F)(F)F)c(CSc2ncco2)c1OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 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
SCHEMBL1027187 0.86 MPO (0.32) MPOMEN1KMT2ASMN1; SMN2
SCHEMBL1027876 0.85
SCHEMBL1027291 0.83 MPO (0.35) MPOMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1028421 0.82 MEN1 (0.36) MPOMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1223321 0.81 MPO (0.34) MPOMEN1KMT2ASMN1; SMN2GAA
SCHEMBL1026976 0.75
SCHEMBL1223797 0.75 MAPT (0.32) MEN1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL4171348 0.75 L3MBTL1 (0.32) MPOMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4164764 0.73 MEN1 (0.31) MPOMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL1222310 0.73 MEN1 (0.34) MPOMEN1KMT2ASMN1; SMN2LMNA

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 MPO 3890/4885MEN1 4695/4885KMT2A 1169/4885

“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.