SCHEMBL3547335

SCHEMBL3547335

COC(=O)[C@H]1CCN1C(=O)c1ccc(OCc2ccccc2)c(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.52
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL3547333 1.00 PDK2 (0.52) PDK2RXRARXRBRXRGHSD17B10
SCHEMBL3546372 0.85 PDK2 (0.55) PDK2MEN1KMT2APDE4BPDE4D
SCHEMBL3546371 0.85 PDK2 (0.55) PDK2MEN1KMT2APDE4BPDE4D
SCHEMBL3552735 0.84 PDK2 (0.48) PDK2NPC1RAB9AKDM4EKMT2A
SCHEMBL3552738 0.84 PDK2 (0.48) PDK2NPC1RAB9AKDM4EKMT2A
SCHEMBL3544407 0.82 PDK2 (0.50) PDK2NPC1RAB9AKMT2APDE4B
SCHEMBL3544410 0.82 PDK2 (0.50) PDK2NPC1RAB9AKMT2APDE4B
SCHEMBL3549086 0.81 PDK2 (0.53) PDK2NPC1RAB9AKMT2APDE4B
SCHEMBL3549084 0.81 PDK2 (0.53) PDK2NPC1RAB9AKMT2APDE4B
SCHEMBL3551111 0.81 PDK2 (0.55) PDK2HSD17B10NPC1RAB9AHPGD

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 2445/4885RXRA 4524/4885RXRB 4684/4885

“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.