SCHEMBL5545483

SCHEMBL5545483

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(CN(C)C(=O)c2ccc(C(C)=O)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.40
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LIMK2 P53671 1/20 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
SCHEMBL5545492 0.95 AOC3 (0.40) AOC3MEN1KMT2ALIMK2
SCHEMBL5551582 0.93 AOC3 (0.47) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5550205 0.92 AOC3 (0.37) AOC3
SCHEMBL4988537 0.91 AOC3 (0.41) AOC3
SCHEMBL4990208 0.89 AOC3 (0.42) AOC3
SCHEMBL4871878 0.89 AOC3 (0.42) AOC3PIK3CDPIK3CG
SCHEMBL5545451 0.88 AOC3 (0.39) AOC3
SCHEMBL4984689 0.85 AOC3 (0.43) AOC3
SCHEMBL5496066 0.84 AOC3 (0.44) AOC3
SCHEMBL4982481 0.84 AOC3 (0.48) AOC3

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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885PIK3CD 4021/4885PIK3CA 4220/4885

“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.