SCHEMBL24540429

SCHEMBL24540429

CC(C)(C)OC(=O)CCCC(N=C=O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.34
EPHX2 P34913 1/20 0.31
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL11977582 0.91 AAK1 (0.35) AAK1NOS1NOS3NOS2HDAC3
SCHEMBL16661541 0.91 AAK1 (0.35) AAK1NOS1NOS3NOS2HDAC3
SCHEMBL22878136 0.91 AAK1 (0.35) AAK1NOS1NOS3NOS2HDAC3
SCHEMBL2133713 0.84 CTSK (0.39) AAK1
SCHEMBL11977585 0.83 ZDHHC7 (0.36) AAK1
SCHEMBL14079863 0.83 ZDHHC7 (0.36) AAK1
Hydrochloric Acid SCHEMBL30309121 0.82 LTA4H (0.35) AAK1NOS1NOS3NOS2
SCHEMBL12485882 0.82 CPB2 (0.38) AAK1NOS1NOS3NOS2
SCHEMBL25963724 0.81 AAK1 (0.35) AAK1NOS1NOS3NOS2
SCHEMBL12484990 0.81 AAK1 (0.38) AAK1NOS1NOS3NOS2

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
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
WO-2022126275-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-06-23 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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C AAK1 3954/4885EPHX2 3002/4885NOS1 4849/4885

“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.