SCHEMBL3546501

SCHEMBL3546501

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.52
LOX P28300 1/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
DHFR P00374 1/20 0.37
GAA P10253 1/20 0.37
DPP4 P27487 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
SCHEMBL3546499 1.00 PDK2 (0.52) PDK2LOXNPC1RAB9AALDH1A1
SCHEMBL3545908 0.86 PDK2 (0.38) PDK2
SCHEMBL3545905 0.86 PDK2 (0.38) PDK2
SCHEMBL3553303 0.84 PDK2 (0.53) PDK2LOXNPC1RAB9AKMT2A
SCHEMBL3553305 0.84 PDK2 (0.53) PDK2LOXNPC1RAB9AKMT2A
SCHEMBL3547391 0.80 PDK2 (0.56) PDK2LOX
SCHEMBL3547392 0.80 PDK2 (0.56) PDK2LOX
SCHEMBL3544600 0.75 LOXL2 (0.48) NPC1RAB9AKMT2AMEN1
SCHEMBL7068414 0.75 KMT2A (0.62) PDK2LOXNPC1RAB9AALDH1A1
SCHEMBL2769546 0.75 KMT2A (0.62) PDK2LOXNPC1RAB9AALDH1A1

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 2898/4885NPC1 3597/4885

“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.