SCHEMBL4985171

SCHEMBL4985171

CC(C)(C)C[C@@H](NC(=O)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.41
AAK1 Q2M2I8 2/20 0.38
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
HIF1A Q16665 3/20 0.36
DGAT1 O75907 1/20 0.36
KLKB1 P03952 1/20 0.35
LIPG Q9Y5X9 3/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
LPL P06858 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
P4HB P07237 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
SCHEMBL15092235 0.83 ROCK1 (0.39) ROCK1AAK1F2F11PRSS1
SCHEMBL4740814 0.81 ROCK1 (0.42) ROCK1AAK1F2F11PRSS1
SCHEMBL2552646 0.81 ROCK1 (0.42) ROCK1AAK1F2F11PRSS1
SCHEMBL15092236 0.80 ROCK1 (0.39) ROCK1AAK1F2F11PRSS1
SCHEMBL23607759 0.80 LIPG (0.38) ROCK1AAK1F2F11PRSS1
SCHEMBL4983684 0.76 FPR2 (0.39) AAK1DGAT1
SCHEMBL2554622 0.76 ROCK1 (0.43) ROCK1AAK1F2F11PRSS1
SCHEMBL16908868 0.74 LIPG (0.38) ROCK1AAK1F11HIF1ALIPG
SCHEMBL2548579 0.74 ROCK1 (0.41) ROCK1AAK1F2F11PRSS1
SCHEMBL17421102 0.74 ROCK1 (0.50) ROCK1AAK1F2F11PRSS1

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-7332499-B2 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK & CO., INC. (US) 2008-02-19 US disclosed
US-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK SHARP & DOHME CORP. 2006-11-02 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-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides BDKRB1, BDKRB2, CNR2 ROCK1 3868/4885AAK1 836/4885F2 1261/4885

“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.