SCHEMBL1706645

SCHEMBL1706645

[CH2]N(S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA1 P00915 1/20 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
SCHEMBL1098637 0.75
SCHEMBL48217 0.64
SCHEMBL28449489 0.62 KDM4E (0.33) KDM4ECYP3A4
SCHEMBL7193286 0.62 CA1 (0.38) CA1
SCHEMBL40729 0.61
Dimethyl Sulfone SCHEMBL2203884 0.61
SCHEMBL31186 0.61
SCHEMBL25121389 0.61
SCHEMBL5276584 0.61
Hydrochloric Acid SCHEMBL8888872 0.61

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
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP claimed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP disclosed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO disclosed
US-20030087761-A1 Synergistic active compound combinations for controlling harmful plants AVENTIS CROPSCIENCE GMBH (DE) 2003-05-08 US disclosed
US-20030004064-A1 Synergistic active compound combinations for controlling harmful plants AVENTIS CROPSCIENCE GMBH (DE) 2003-01-02 US disclosed
WO-2002080680-A2 SYNERGISTIC ACTIVE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS BAYER CROPSCIENCE GMBH (DE) 2002-10-17 WO disclosed
WO-2002080679-A2 SYNERGISTIC ACTIVE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS BAYER CROPSCIENCE GMBH (DE) 2002-10-17 WO disclosed
EP-1222178-A1 ALKYL-AMINO-1,3,5-TRIAZINES AND THEIR USE AS HERBICIDES Aventis CropScience GmbH (DE) 2002-07-17 EP disclosed
WO-2001027093-A1 ALKYL-AMINO-1,3,5-TRIAZINES AND THEIR USE AS HERBICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-04-19 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-20030087761-A1 Synergistic active compound combinations for controlling harmful plants GSTA1, CASP9, BROX KDM4E 2624/4885CYP3A4 186/4885CA1 399/4885
US-20030004064-A1 Synergistic active compound combinations for controlling harmful plants DDT, AADAT, MTX1 KDM4E 1886/4885CYP3A4 96/4885CA1 723/4885

“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.