SCHEMBL2050508

SCHEMBL2050508

Cc1ccc(S(=O)(=O)Oc2cc(Cl)nnc2Oc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
PTGS2 P35354 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
VDR P11473 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39
ESR2 Q92731 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL2047804 0.88 LMNA (0.45) LMNAMAPK1KEAP1NFE2L2VDR
SCHEMBL2049794 0.86 LMNA (0.43) LMNAMAPK1KEAP1NFE2L2VDR
SCHEMBL2052229 0.85 ALDH1A1 (0.43) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2050081 0.83 DHODH (0.42) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2044267 0.83 HTR6 (0.50) SCN9ALMNAMAPK1KEAP1NFE2L2
SCHEMBL2046304 0.82 KMT2A (0.42) LMNAMAPK1KEAP1NFE2L2VDR
SCHEMBL2049810 0.82 KMT2A (0.47) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2050581 0.82 P2RY1 (0.41) LMNAMAPK1KEAP1NFE2L2VDR
SCHEMBL2045452 0.81 MEN1 (0.41) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2050269 0.81 KMT2A (0.41) LMNAMAPK1KEAP1NFE2L2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 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 (2 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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 SCN9A 1564/4885PTGS2 1573/4885LMNA 3969/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 SCN9A 1682/4885PTGS2 1589/4885LMNA 3977/4885

“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.