SCHEMBL3301568

SCHEMBL3301568

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.41
CDC7 O00311 5/20 0.36
TTBK1 Q5TCY1 5/20 0.36
TTBK2 Q6IQ55 1/20 0.34
MAP3K14 Q99558 1/20 0.34
CDK2 P24941 3/20 0.34
MAPT P10636 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
SCHEMBL3299206 0.86 CDC7 (0.44) ROCK1CDC7
SCHEMBL3298886 0.85 ROCK1 (0.31) ROCK1
SCHEMBL3295555 0.84 DGAT1 (0.32) ROCK1
SCHEMBL4430982 0.83 ROCK1 (0.32) ROCK1
SCHEMBL4431375 0.82 CDC7 (0.43) ROCK1CDC7MAPT
SCHEMBL3298096 0.80 F2 (0.39) ROCK1
SCHEMBL13390337 0.78 DGAT1 (0.32)
SCHEMBL13409472 0.77
SCHEMBL13409127 0.76 ROCK1 (0.33) ROCK1
SCHEMBL3295499 0.76 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 3 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
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 712/4885CDC7 4322/4885TTBK1 1516/4885

“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.