SCHEMBL3298211

SCHEMBL3298211

CC(C)(C)OC(=O)NCCOc1cnc(-n2ccc3cc(N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)cn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CNR1 P21554 1/20 0.32
DGAT1 O75907 2/20 0.32
ADORA3 P0DMS8 3/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
PHGDH O43175 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL3295593 0.89 IRAK4 (0.34) IRAK4ADORA3CKS1BSKP1SKP2
SCHEMBL3304273 0.88 DGAT1 (0.34) IRAK4DGAT1
SCHEMBL13390808 0.86 CA12 (0.35) IRAK4CA12CA1CA2CA9
SCHEMBL3300310 0.83 BRD9 (0.33) IRAK4DGAT1
SCHEMBL3300981 0.82 IRAK4 (0.35) IRAK4DGAT1
SCHEMBL3299025 0.81 IRAK4 (0.35) IRAK4DGAT1
SCHEMBL3298671 0.81 IRAK4 (0.34) IRAK4DGAT1
SCHEMBL3299193 0.80 IRAK4 (0.36) IRAK4
SCHEMBL3301418 0.80 IRAK4 (0.34) IRAK4DGAT1
SCHEMBL3302171 0.80 IRAK4 (0.34) IRAK4DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 IRAK4 2516/4885CA12 4412/4885CA1 3711/4885

“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.