SCHEMBL3304022

SCHEMBL3304022

CNc1nccc(-n2ccc3cc(N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.37
CDC7 O00311 1/20 0.37
KDR P35968 1/20 0.33
ROCK1 Q13464 5/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
JUN P05412 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
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
SCHEMBL3303632 0.89 ROCK1 (0.34) CDK2CDC7ROCK1IRAK4
SCHEMBL3301125 0.86 ROCK1 (0.34) ROCK1IRAK4
SCHEMBL3294888 0.86 IRAK4 (0.33) ROCK1IRAK4
SCHEMBL3303863 0.85 IRAK4 (0.30) IRAK4
SCHEMBL3297377 0.85 ROCK1 (0.32) CDK2CDC7ROCK1IRAK4
SCHEMBL3302071 0.85 IRAK4 (0.32) IRAK4
SCHEMBL3297421 0.85 LMNA (0.33) ROCK1IRAK4
SCHEMBL3298932 0.85 IRAK4 (0.31) IRAK4
SCHEMBL3298897 0.85 IRAK4 (0.31) IRAK4
SCHEMBL3305263 0.85 MAPT (0.32) 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 CDK2 876/4885CDC7 4322/4885KDR 4483/4885

“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.