SCHEMBL2047485

SCHEMBL2047485

[O]S(=O)(=O)c1cccc(F)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.40
HSD11B1 P28845 1/20 0.35
KAT6A Q92794 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
CNR1 P21554 1/20 0.33
TRPA1 O75762 1/20 0.32
AKR1B1 P15121 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
IKBKB O14920 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
SCHEMBL27152694 0.82 SLC22A12 (0.39) SLC22A12HSD11B1KAT6AHCAR1PKM
SCHEMBL30681743 0.82 SLC22A12 (0.39) SLC22A12HSD11B1KAT6AHCAR1PKM
SCHEMBL3190673 0.82 SLC22A12 (0.39) SLC22A12HSD11B1KAT6AHCAR1ESR1
SCHEMBL17698980 0.82 PTGES2 (0.45) SLC22A12PTGES2
SCHEMBL28312404 0.78 HSD11B1 (0.48) SLC22A12HSD11B1KMT2ACNR1
SCHEMBL28312442 0.75 HSD11B1 (0.49) SLC22A12HSD11B1PTGES2CNR1AKR1B1
SCHEMBL28311452 0.75 CA1 (0.43) SLC22A12HSD11B1KAT6AMEN1KMT2A
SCHEMBL1541726 0.75 TRPA1 (0.40) HSD11B1HCAR1TRPA1CES2CES1
SCHEMBL28312428 0.74 HSD11B1 (0.48) HSD11B1ESR1ESR2MEN1KMT2A
SCHEMBL29057982 0.74 ALDH1A1 (0.46) HSD11B1MEN1KMT2ACNR1

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 10 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-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 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-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 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 (3 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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 SLC22A12 3531/4885HSD11B1 165/4885KAT6A 1542/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 SLC22A12 2677/4885HSD11B1 586/4885KAT6A 3013/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 SLC22A12 2344/4885HSD11B1 696/4885KAT6A 3154/4885

“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.