SCHEMBL4487828

SCHEMBL4487828

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.33
PDE4D Q08499 6/20 0.33
PDE4A P27815 5/20 0.33
PDE4C Q08493 5/20 0.33
CCR4 P51679 1/20 0.33
GFER P55789 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4500314 0.89 ALDH1A1 (0.34) CCR4ALDH1A1PIK3C3
SCHEMBL4506957 0.88 NPC1 (0.31) PDE4BPDE4DPDE4APDE4CPIK3C3
SCHEMBL12602547 0.87 KAT2B (0.33) CCR4
SCHEMBL4507444 0.85 PDE4D (0.39) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL12602577 0.84 CCR4 (0.31) CCR4ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4497649 0.84 ALDH1A1 (0.35) KDM4EALDH1A1RECQL
SCHEMBL8181420 0.83 MAPT (0.32) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL9077921 0.83 KDM4E (0.33) CCR4ITGB1ITGA4ITGB7KDM4E
SCHEMBL12602569 0.82 CISD1 (0.31) CCR4
SCHEMBL12602575 0.80 ALDH1A1 (0.33) CCR4KDM4EALDH1A1

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 2 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

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 PDE4B 2378/4885PDE4D 2329/4885PDE4A 2987/4885

“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.