SCHEMBL3299206

SCHEMBL3299206

CC(C)(C)OC(=O)N(CCN(C(=O)OC(C)(C)C)c1nccc(-n2ccc3cc([N+](=O)[O-])ccc32)n1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
ROCK1 Q13464 5/20 0.35
SLC6A2 P23975 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
KMT2A Q03164 2/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4431375 0.96 CDC7 (0.43) CDC7ROCK1SLC6A2GABRA1GABRG2
SCHEMBL3301568 0.86 ROCK1 (0.41) CDC7ROCK1
SCHEMBL13391040 0.86 CDC7 (0.35) CDC7SLC6A2GABRA1GABRG2GABRB3
SCHEMBL3298574 0.85 CDC7 (0.33) CDC7SLC6A2GABRA1GABRG2GABRB3
SCHEMBL4428336 0.83 CDC7 (0.34) CDC7SLC6A2KMT2AMEN1
SCHEMBL3298096 0.77 F2 (0.39) ROCK1
SCHEMBL3298867 0.76 BRD4 (0.40) CDC7SLC6A2KMT2AMEN1
SCHEMBL13390337 0.76 DGAT1 (0.32)
SCHEMBL13409127 0.73 ROCK1 (0.33) ROCK1
SCHEMBL3295499 0.73 DGAT1 (0.31)

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 2 patents. 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
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 CDC7 4322/4885ROCK1 712/4885SLC6A2 2503/4885

“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.