SCHEMBL1028374

SCHEMBL1028374

Cn1nc(C(F)(F)F)c(CS(=O)(=O)c2ncco2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
CYP2C19 P33261 6/20 0.39
CYP2C9 P11712 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 3/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 5/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 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
SCHEMBL1028093 0.87 GAA (0.32) ALDH1A1LMNAGAAL3MBTL1MEN1
SCHEMBL1223295 0.84 GAA (0.33) LMNAGAAL3MBTL1MEN1KMT2A
SCHEMBL1223797 0.83 MAPT (0.32) ALDH1A1LMNAGAAL3MBTL1MEN1
SCHEMBL1222406 0.81 MAPT (0.31) ALDH1A1LMNAGAAL3MBTL1MEN1
SCHEMBL1028421 0.73 MEN1 (0.36) ALDH1A1LMNACYP2C19CYP2C9CYP3A4
SCHEMBL4171920 0.72 ALDH1A1 (0.39) ALDH1A1LMNACYP2C19CYP2C9CYP3A4
SCHEMBL1028747 0.71 ALDH1A1 (0.36) ALDH1A1LMNACYP2C19CYP2C9CYP3A4
SCHEMBL1222844 0.71
SCHEMBL3736237 0.70 ALDH1A1 (0.39) ALDH1A1LMNACYP2C19CYP2C9CYP3A4
SCHEMBL5263020 0.68 ALDH1A1 (0.44) ALDH1A1LMNACYP2C19CYP2C9CYP3A4

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 6 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
EP-2112149-A1 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 CropScience Aktiengesellschaft (DE) 2009-10-28 EP 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 ALDH1A1 920/4885LMNA 4827/4885CYP2C19 536/4885

“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.