SCHEMBL3553305

SCHEMBL3553305

COC(=O)[C@H]1CCN1C(=O)c1cccc(SC(F)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.53
LOX P28300 1/20 0.43
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RBP4 P02753 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3553303 1.00 PDK2 (0.53) PDK2LOXKMT2ANPC1RAB9A
SCHEMBL3547540 0.86 PDK2 (0.38) PDK2
SCHEMBL3547543 0.86 PDK2 (0.38) PDK2
SCHEMBL3546501 0.84 PDK2 (0.52) PDK2LOXKMT2ANPC1RAB9A
SCHEMBL3546499 0.84 PDK2 (0.52) PDK2LOXKMT2ANPC1RAB9A
SCHEMBL3547392 0.79 PDK2 (0.56) PDK2LOX
SCHEMBL3547391 0.79 PDK2 (0.56) PDK2LOX
SCHEMBL13403430 0.77 PDK2 (0.38) PDK2
SCHEMBL13403416 0.76 PDE5A (0.41) PDK2
SCHEMBL7068414 0.76 KMT2A (0.62) PDK2LOXKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE PDK2 2445/4885LOX 2898/4885KMT2A 1078/4885

“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.