SCHEMBL3552738

SCHEMBL3552738

C=CCOc1ccc(C(=O)N2CC[C@@H]2C(=O)OC)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.48
KDM4E B2RXH2 1/20 0.43
PDE4B Q07343 2/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GYS1 P13807 1/20 0.39
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SLC6A4 P31645 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GLA P06280 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
SCHEMBL3552735 1.00 PDK2 (0.48) PDK2KDM4EPDE4BPDE4DALDH1A1
SCHEMBL3550312 0.89 GYS1 (0.39) PDK2KDM4EALDH1A1GYS1NPC1
SCHEMBL3550309 0.89 GYS1 (0.39) PDK2KDM4EALDH1A1GYS1NPC1
Hydroxyamine SCHEMBL5275910 0.87 GYS1 (0.46) PDK2KDM4EPDE4BALDH1A1GYS1
Hydroxyamine SCHEMBL5275914 0.87 GYS1 (0.46) PDK2KDM4EPDE4BALDH1A1GYS1
SCHEMBL3546372 0.86 PDK2 (0.55) PDK2PDE4BPDE4DALDH1A1KMT2A
SCHEMBL3546371 0.86 PDK2 (0.55) PDK2PDE4BPDE4DALDH1A1KMT2A
SCHEMBL3541595 0.84 PDK2 (0.52) PDK2PDE4BPDE4DALDH1A1KMT2A
SCHEMBL3541592 0.84 PDK2 (0.52) PDK2PDE4BPDE4DALDH1A1KMT2A
SCHEMBL3547333 0.84 PDK2 (0.52) PDK2KDM4EPDE4BPDE4DKMT2A

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 2445/4885KDM4E 2323/4885PDE4B 2020/4885

“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.