SCHEMBL3298352

SCHEMBL3298352

CN(C)CCNC(=O)c1ccc(-n2ccc3cc(N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)nc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
EGLN1 Q9GZT9 4/20 0.35
MAOB P27338 1/20 0.34
ROCK1 Q13464 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ACSS2 Q9NR19 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CAMK2D Q13557 1/20 0.33
PTK2 Q05397 1/20 0.32
FYN P06241 1/20 0.32
TOP2A P11388 1/20 0.32
HTR2C P28335 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3305414 0.90 ROCK1 (0.37) IRAK4MAOBROCK1KMT2AMEN1
SCHEMBL3297297 0.87 PTK2 (0.41) IRAK4ROCK1KMT2AMEN1ACSS2
SCHEMBL3301418 0.86 IRAK4 (0.34) IRAK4
SCHEMBL4428353 0.85 MAOB (0.36) IRAK4EGLN1MAOBROCK1KMT2A
SCHEMBL3299852 0.84
SCHEMBL3294658 0.84 IRAK4 (0.33) IRAK4ROCK1
SCHEMBL13390197 0.83 MAOB (0.35) IRAK4EGLN1MAOBROCK1KMT2A
SCHEMBL3297341 0.83 IRAK4 (0.34) IRAK4
SCHEMBL3297350 0.83 ROCK1 (0.38) IRAK4ROCK1ACSS2PTK2ALDH1A1
SCHEMBL3305318 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 IRAK4 2516/4885EGLN1 3092/4885MAOB 1507/4885

“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.