SCHEMBL3301096

SCHEMBL3301096

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2cc(C(=O)NC3CC3)ccn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.40
IRAK4 Q9NWZ3 6/20 0.38
PLK1 P53350 2/20 0.32
PLK2 Q9NYY3 2/20 0.32
PLK3 Q9H4B4 1/20 0.32
MAPK14 Q16539 2/20 0.32
ROCK1 Q13464 1/20 0.32
ADRB2 P07550 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL3294888 0.90 IRAK4 (0.33) IRAK4PLK1PLK2ROCK1
SCHEMBL3297350 0.89 ROCK1 (0.38) IRAK4ROCK1
SCHEMBL3298897 0.88 IRAK4 (0.31) IRAK4
SCHEMBL3305414 0.87 ROCK1 (0.37) IRAK4ROCK1
SCHEMBL3305435 0.87 ROCK1 (0.37) IRAK4ROCK1
SCHEMBL3294739 0.87 SCN2B (0.36) MAPK14
SCHEMBL3303924 0.86 IRAK4 (0.32) IRAK4
SCHEMBL3300992 0.85 ROCK1 (0.33) IRAK4PLK1PLK2ROCK1
SCHEMBL3301125 0.85 ROCK1 (0.34) IRAK4ROCK1
SCHEMBL3298201 0.84 SMN1; SMN2 (0.34)

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 HPGDS 3156/4885IRAK4 2516/4885PLK1 2904/4885

“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.