SCHEMBL677644

SCHEMBL677644

Cc1ccc(C(=O)c2cnoc2C2CC2)c(S(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
PDE2A O00408 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
CRACR2A Q9BSW2 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.31
AKR1C3 P42330 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8493300 0.88 DHODH (0.36) DHODHPDE2ACRACR2ALMNAEPHX2
SCHEMBL6054844 0.87 DHODH (0.35) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL123795 0.87 F10 (0.39) DHODHPDE2ALMNAKMT2AMAPT
SCHEMBL8491452 0.87 DHODH (0.37) DHODHPDE2ACRACR2AEPHX2CDK2
SCHEMBL4894785 0.87 F10 (0.39) DHODHPDE2ALMNAKMT2AMAPT
SCHEMBL9069510 0.85 DHODH (0.36) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8492662 0.85 LMNA (0.43) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8493022 0.85 RAB9A (0.39) DHODHLMNAKMT2AEPHX2
Isoxaflutole SCHEMBL29355326 0.85 DHODH (0.48) DHODHCRACR2ALMNAKMT2A
Isoxaflutole SCHEMBL21645075 0.85 DHODH (0.48) DHODHCRACR2ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
US-20180213785-A1 HERBICIDAL COMBINATIONS FOR TOLERANT SOYBEAN CULTURES BASF SE (DE) 2018-08-02 US disclosed
US-9974306-B2 Herbicidal combinations for tolerant soybean cultures BAYER CROPSCIENCE AG (DE) 2018-05-22 US disclosed
US-20150272121-A1 HERBICIDAL COMBINATIONS FOR TOLERANT SOYBEAN CULTURES BASF SE (DE) 2015-10-01 US disclosed
US-8053393-B2 Aqueous herbicidal composition based on a suspension concentrate comprising herbicides and safeners BAYER CROPSCIENCE AG (DE) 2011-11-08 US disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
WO-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO 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-20180213785-A1 HERBICIDAL COMBINATIONS FOR TOLERANT SOYBEAN CULTURES DDT, GSTM2, GSTO1 DHODH 306/4885PDE2A 1704/4885TAS1R3 3603/4885
US-20150272121-A1 HERBICIDAL COMBINATIONS FOR TOLERANT SOYBEAN CULTURES DDT, GSTM2, GSTO1 DHODH 306/4885PDE2A 1704/4885TAS1R3 3603/4885

“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.