SCHEMBL2050581

SCHEMBL2050581

Cc1ccc(S(=O)(=O)Oc2cc(Cl)nnc2Oc2ccccc2C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.40
HSD17B3 P37058 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
IDO1 P14902 5/20 0.37
HTT P42858 1/20 0.35
HTR6 P50406 1/20 0.35
VDR P11473 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2047780 0.92 HSD11B1 (0.41) P2RY1HSD11B1HSD17B3KMT2AMEN1
SCHEMBL2047804 0.88 LMNA (0.45) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2049794 0.86 LMNA (0.43) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2052229 0.85 ALDH1A1 (0.43) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2050081 0.83 DHODH (0.42) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2046304 0.82 KMT2A (0.42) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2049810 0.82 KMT2A (0.47) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2050508 0.82 SCN9A (0.42) LMNAMAPK1KEAP1NFE2L2KMT2A
SCHEMBL2047482 0.82 ALDH1A1 (0.42) P2RY1LMNAMAPK1HSD11B1HSD17B3
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 P2RY1 556/4885LMNA 3969/4885MAPK1 1018/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 P2RY1 636/4885LMNA 3977/4885MAPK1 850/4885

“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.