SCHEMBL2047482

SCHEMBL2047482

Cc1ccc(S(=O)(=O)Oc2cc(Cl)nnc2Oc2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 1/20 0.38
HSD17B3 P37058 1/20 0.38
ESR1 P03372 1/20 0.37
GAA P10253 1/20 0.37
ESR2 Q92731 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL2052136 0.91 NPSR1 (0.53) ALDH1A1KMT2AMEN1NPSR1MCOLN3
SCHEMBL2050066 0.87 KMT2A (0.43) ALDH1A1KMT2AMEN1NPSR1MCOLN3
SCHEMBL2050291 0.86 POLB (0.40) ALDH1A1KMT2AMEN1NPSR1MCOLN3
SCHEMBL2047609 0.83 KMT2A (0.38) ALDH1A1KMT2AMEN1HSD11B1HSD17B3
SCHEMBL2049389 0.82 P2RY2 (0.45) KMT2AMEN1ESR1GAAESR2
SCHEMBL2050581 0.82 P2RY1 (0.41) ALDH1A1KMT2AMEN1HSD11B1HSD17B3
SCHEMBL2047804 0.81 LMNA (0.45) ALDH1A1KMT2AMEN1NPSR1CYP3A4
SCHEMBL2050269 0.80 KMT2A (0.41) ALDH1A1KMT2AMEN1NPSR1CYP2C19
SCHEMBL2049794 0.79 LMNA (0.43) ALDH1A1KMT2AMEN1NPSR1ESR1
SCHEMBL2052229 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1ESR1

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 ALDH1A1 447/4885KMT2A 572/4885MEN1 4596/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885KMT2A 493/4885MEN1 4495/4885

“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.