SCHEMBL3300992

SCHEMBL3300992

CNC(=O)c1ccnc(-n2ccc3cc(N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c4cc(Cl)nc(Cl)c4)ccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PLK1 P53350 1/20 0.31
PLK2 Q9NYY3 1/20 0.31
EGFR P00533 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
SCHEMBL3294888 0.95 IRAK4 (0.33) ROCK1IRAK4PLK1PLK2
SCHEMBL3298897 0.86 IRAK4 (0.31) IRAK4
SCHEMBL3301096 0.85 HPGDS (0.40) ROCK1IRAK4PLK1PLK2
SCHEMBL3297350 0.85 ROCK1 (0.38) ROCK1IRAK4
SCHEMBL3305435 0.84 ROCK1 (0.37) ROCK1IRAK4
SCHEMBL3305414 0.84 ROCK1 (0.37) ROCK1IRAK4
SCHEMBL3303924 0.84 IRAK4 (0.32) IRAK4
SCHEMBL3301168 0.83 ROCK1 (0.36) ROCK1
SCHEMBL3301125 0.82 ROCK1 (0.34) ROCK1IRAK4
SCHEMBL3297326 0.82 DGAT1 (0.32)

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 ROCK1 712/4885IRAK4 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.