SCHEMBL3680887

SCHEMBL3680887

CC(C)c1cc2ccccc2c(S(=O)(=O)O)c1C(C)C.[Na]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
CASP6 P55212 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MPL P40238 2/20 0.33
CYP2C9 P11712 2/20 0.33
HIF1A Q16665 2/20 0.33
ALOX15 P16050 1/20 0.33
ATIC P31939 1/20 0.33
CTRC Q99895 1/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL31139630 1.00 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL30604729 0.98 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL352743 0.98 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL29387441 0.98 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL2230786 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL7589373 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
Ammonia Solution, Strong SCHEMBL6848292 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL3680881 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
Ammonia Solution, Strong SCHEMBL6848295 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL14295886 0.86 FABP3 (0.49) CYP2D6FABP3FABP4FABP5NCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130353-A1 CONCENTRATED HERBICIDE COMPOSITION OF GLUFOSINATE AND DIURON, FORMULATION AND METHOD OURO FINO QUÍMICA S.A. (BR) 2024-06-27 WO claimed
WO-2024130353-A1 CONCENTRATED HERBICIDE COMPOSITION OF GLUFOSINATE AND DIURON, FORMULATION AND METHOD OURO FINO QUÍMICA S.A. (BR) 2024-06-27 WO disclosed
US-20230292758-A1 COMPOSITIONS AND METHODS FOR CONTROLLLING FUNGAL DISEASES IN PLANTS Bayer CropScience LLC 2023-09-21 US disclosed
EP-4199718-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL DISEASES IN PLANTS Bayer CropScience LP (US) 2023-06-28 EP disclosed
WO-2022040271-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL DISEASES IN PLANTS BAYER CROPSCIENCE LP (US) 2022-02-24 WO disclosed
EP-2063713-B1 BORDEAUX MIXTURE SUSPENSION AND PROCESS FOR THE PREPARATION THEREOF SZEGOE ANDRAS (HU) 2010-06-09 EP disclosed
EP-2063713-A1 BORDEAUX MIXTURE SUSPENSION AND PROCESS FOR THE PREPARATION THEREOF Szegö, Andras (HU) 2009-06-03 EP disclosed
WO-2007107802-A1 BORDEAUX MIXTURE SUSPENSION AND PROCESS FOR THE PREPARATION THEREOF VET-PHARMA KFT. (HU) 2007-09-27 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 (1 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-20230292758-A1 COMPOSITIONS AND METHODS FOR CONTROLLLING FUNGAL DISEASES IN PLANTS WASF2, ERG28, NOTUM CYP2D6 2026/4885FABP3 1722/4885FABP4 2640/4885

“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.