SCHEMBL12567525

SCHEMBL12567525

CC(C)(C)OC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
HIF1A Q16665 3/20 0.45
CA1 P00915 5/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 2/20 0.43
KAT6A Q92794 1/20 0.41
CA2 P00918 4/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL1255934 0.87 AAK1 (0.54) AAK1PRMT5WDR77CA1CA9
SCHEMBL1300326 0.85 PRMT5 (0.47) AAK1PRMT5WDR77HIF1ACA1
SCHEMBL29895473 0.85 PRMT5 (0.47) AAK1PRMT5WDR77HIF1ACA1
SCHEMBL20227776 0.84 GSK3B (0.49) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL21318698 0.82 AAK1 (0.46) AAK1PRMT5WDR77HIF1ACA1
SCHEMBL1646602 0.81 AAK1 (0.52) AAK1PRMT5WDR77HIF1ACA1
SCHEMBL27168078 0.81 LPL (0.53) AAK1PRMT5WDR77CA1CA9
SCHEMBL30561474 0.81 AAK1 (0.49) AAK1PRMT5WDR77HIF1ACA1
SCHEMBL21030001 0.81 AAK1 (0.49) AAK1PRMT5WDR77HIF1ACA1
SCHEMBL402997 0.80 PRMT5 (0.46) AAK1PRMT5WDR77HIF1ACA1

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
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 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-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 AAK1 1650/4885PRMT5 967/4885WDR77 912/4885

“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.