SCHEMBL13408587

SCHEMBL13408587

CC(C)(C)OC(=O)CN(Sc1cc(Cl)cc(Cl)c1)c1ccc2c(ccn2-c2cnc(N[C@@H]3CCOC3)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.36
IRAK4 Q9NWZ3 10/20 0.35
DGAT1 O75907 1/20 0.32
MAPK8 P45983 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL14107677 0.96 MAPK1 (0.40) MAPK1IRAK4DGAT1MAPK8
SCHEMBL13408204 0.90 MAPK8 (0.34) IRAK4MAPK8
SCHEMBL13409168 0.90 MAPK1 (0.33) MAPK1IRAK4DGAT1
SCHEMBL13390230 0.86 MAPK1 (0.36) MAPK1IRAK4DGAT1LRRK2
SCHEMBL14107624 0.86 IRAK4 (0.36) MAPK1IRAK4MAPK8
SCHEMBL13409141 0.86 MAPK1 (0.36) MAPK1IRAK4DGAT1MAPK8
SCHEMBL13409174 0.84 DGAT1 (0.32) IRAK4DGAT1
SCHEMBL13942083 0.83 IRAK4 (0.36) MAPK1IRAK4MAPK8
SCHEMBL13390734 0.82 MAPK1 (0.39) MAPK1IRAK4
SCHEMBL13409428 0.81 DGAT1 (0.33) MAPK1IRAK4DGAT1

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 MAPK1 1312/4885IRAK4 2516/4885DGAT1 3856/4885

“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.