SCHEMBL3304273

SCHEMBL3304273

CN(C)CCOc1cnc(-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 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
HSF1 Q00613 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
NR4A2 P43354 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
SCHEMBL3301409 0.90 KDM4E (0.34) DGAT1KDM4EGAAMAPK1NR4A2
SCHEMBL3298211 0.88 IRAK4 (0.34) DGAT1IRAK4
SCHEMBL3301418 0.86 IRAK4 (0.34) DGAT1IRAK4TMEM97SIGMAR1
SCHEMBL3300981 0.85 IRAK4 (0.35) DGAT1IRAK4
SCHEMBL13391241 0.84 KEAP1 (0.34) DGAT1
SCHEMBL3298671 0.84 IRAK4 (0.34) DGAT1IRAK4
SCHEMBL3302171 0.83 IRAK4 (0.34) DGAT1IRAK4
SCHEMBL3301560 0.83 IRAK4 (0.34) DGAT1IRAK4
SCHEMBL13390803 0.83 DGAT1 (0.34) DGAT1IRAK4CCNE1CDK2HSF1
SCHEMBL3295629 0.83 IRAK4 (0.33) IRAK4

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 DGAT1 3856/4885IRAK4 2516/4885KDM4E 620/4885

“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.