SCHEMBL23309869

SCHEMBL23309869

CC(C)(C)C(C)(C(=O)O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
F2 P00734 2/20 0.37
F11 P03951 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
BACE1 P56817 4/20 0.33
LIPG Q9Y5X9 2/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
P4HB P07237 1/20 0.33
LPL P06858 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HIF1A Q16665 1/20 0.33
FFAR1 O14842 1/20 0.33
DGAT1 O75907 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL18766039 0.82 PRMT5 (0.40) ROCK1F2F11PRSS1PRSS2
SCHEMBL18766013 0.77 ROCK1 (0.43) ROCK1F2F11PRSS1PRSS2
SCHEMBL29596271 0.76 DDB1 (0.42) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL2041419 0.76 DDB1 (0.42) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL22040017 0.76 PIK3CA (0.43) ROCK1BACE1PRMT5WDR77BACE2
SCHEMBL28764429 0.76 ROCK1 (0.39) ROCK1F2F11PRSS1PRSS2
SCHEMBL18766181 0.76 ROCK1 (0.40) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL18766183 0.76 ROCK1 (0.40) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL18765849 0.76 ROCK1 (0.40) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL28764438 0.75 ROCK1 (0.38) ROCK1F2F11PRSS1PRSS2

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-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 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-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ROCK1 58/4885F2 3533/4885F11 382/4885

“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.