SCHEMBL14005206

SCHEMBL14005206

CC(C)(C)OC(=O)N[C@H](COc1cncc(C(C)(C)C)c1)COS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.37
SYK P43405 1/20 0.34
CA2 P00918 4/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA12 O43570 2/20 0.32
ATM Q13315 1/20 0.32
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC5 Q9UQL6 3/20 0.32

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
SCHEMBL14030216 0.87
SCHEMBL14005204 0.86 AAK1 (0.40) AAK1SYKATMHDAC3HDAC4
SCHEMBL14004850 0.86 AAK1 (0.40) AAK1SYKATMHDAC3HDAC4
SCHEMBL14005058 0.86 AAK1 (0.40) AAK1SYKATMHDAC3HDAC4
SCHEMBL14005405 0.81 SCN9A (0.39) AAK1CA2CA1CA9CA4
SCHEMBL14004830 0.80 ATM (0.53) SYKATMCYP3A4
SCHEMBL14005454 0.79 LMNA (0.35) AAK1SYKATMHDAC3HDAC4
SCHEMBL3611694 0.79 ATM (0.46) AAK1SYKCA1CA7CA12
SCHEMBL3611698 0.79 ATM (0.46) AAK1SYKCA1CA7CA12
SCHEMBL3611690 0.79 ATM (0.46) AAK1SYKCA1CA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 AAK1 219/4885SYK 478/4885CA2 1620/4885

“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.