SCHEMBL2554622

SCHEMBL2554622

CC(CNC(=O)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.43
HIF1A Q16665 3/20 0.38
LIPG Q9Y5X9 3/20 0.37
LPL P06858 2/20 0.37
F2 P00734 2/20 0.36
F11 P03951 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
AAK1 Q2M2I8 2/20 0.36
KLKB1 P03952 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
P4HB P07237 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL2548579 0.88 ROCK1 (0.41) ROCK1HIF1ALIPGLPLF2
SCHEMBL15092357 0.85 PRMT5 (0.49) ROCK1HIF1AAAK1PRMT5WDR77
SCHEMBL29784727 0.85 PRMT5 (0.49) ROCK1HIF1AAAK1PRMT5WDR77
SCHEMBL15092669 0.85 PRMT5 (0.49) ROCK1HIF1AAAK1PRMT5WDR77
SCHEMBL2554512 0.85 PRMT5 (0.49) ROCK1HIF1AAAK1PRMT5WDR77
SCHEMBL16918907 0.84 LPL (0.41) ROCK1LIPGLPLF11CA1
SCHEMBL15092235 0.83 ROCK1 (0.39) ROCK1HIF1ALIPGLPLF2
SCHEMBL2550196 0.82 ROCK1 (0.42) ROCK1HIF1ALIPGLPLF2
SCHEMBL4740814 0.81 ROCK1 (0.42) ROCK1HIF1ALIPGLPLF2
SCHEMBL2552646 0.81 ROCK1 (0.42) ROCK1HIF1ALIPGLPLF2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO 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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 ROCK1 3525/4885HIF1A 4423/4885LIPG 3497/4885

“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.