SCHEMBL4500314

SCHEMBL4500314

CC(=O)Nc1c(S(C)(=O)=O)ccc(C(=O)c2cnn(C)c2O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATAD2 Q6PL18 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
CCR4 P51679 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL4487828 0.89 PDE4B (0.33) ALDH1A1PIK3C3CCR4
SCHEMBL12602547 0.89 KAT2B (0.33) CCR4
SCHEMBL4500884 0.88 ALDH1A1 (0.38) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4497306 0.86 SMN1; SMN2 (0.39) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12602577 0.86 CCR4 (0.31) ALDH1A1CCR4
SCHEMBL4497649 0.86 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL4496557 0.85 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2AROCK2ROCK1
SCHEMBL8181420 0.85 MAPT (0.32) ALDH1A1MEN1KMT2A
SCHEMBL12602569 0.84 CISD1 (0.31) CCR4
SCHEMBL12602581 0.81 JAK1 (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635664-B2 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2009-12-22 US disclosed
US-20040110640-A1 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2004-06-10 US disclosed
EP-1395565-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES Bayer CropScience AG (DE) 2004-03-10 EP disclosed
WO-2002094792-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2002-11-28 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-20040110640-A1 Herbicidal substituted benzoylpyrazoles DDT, GLRX3, CBR3 ALDH1A1 294/4885PIK3CD 2401/4885PIK3CA 2445/4885

“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.