SCHEMBL21114070

SCHEMBL21114070

CN(CCCCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.49
PDK2 Q15119 1/20 0.42
HIF1A Q16665 3/20 0.40
USP30 Q70CQ3 1/20 0.39
MAOB P27338 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
DGAT1 O75907 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL16491249 0.96 AAK1 (0.51) AAK1PDK2HIF1AUSP30GPR119
SCHEMBL16015087 0.92 AAK1 (0.52) AAK1PDK2HIF1AUSP30CA1
SCHEMBL21114178 0.84 PDK2 (0.44) AAK1PDK2USP30GPR119BACE1
SCHEMBL21113990 0.84 PDK2 (0.44) AAK1PDK2USP30GPR119BACE1
SCHEMBL16491289 0.83 PDK2 (0.45) AAK1PDK2HIF1AUSP30BACE1
SCHEMBL21114117 0.83 PDK2 (0.45) AAK1PDK2USP30GPR119BACE1
SCHEMBL25294268 0.82 AAK1 (0.53) AAK1HIF1ACA1CA2CA9
SCHEMBL15092555 0.81 LIPG (0.49) AAK1USP30CA1CA2CA9
SCHEMBL16491253 0.80 AAK1 (0.52) AAK1PDK2HIF1AUSP30CA1
SCHEMBL18391604 0.80 AAK1 (0.49) AAK1PDK2HIF1AUSP30CA1

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-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 WO disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 AAK1 3864/4885PDK2 3088/4885HIF1A 2114/4885

“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.