SCHEMBL3943243

SCHEMBL3943243

C=CCCCC[C@H](CNOCc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIK1 P39086 1/20 0.36
CYP1A2 P05177 1/20 0.36
SLC1A1 P43005 2/20 0.36
SLC1A3 P43003 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
FAAH O00519 1/20 0.36
TGM2 P21980 1/20 0.36
TBXAS1 P24557 1/20 0.35

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
SCHEMBL4405482 0.96 FOLH1 (0.40) FOLH1NPC1RAB9AKDM4EALDH1A1
SCHEMBL4405484 0.96 FOLH1 (0.40) FOLH1NPC1RAB9AKDM4EALDH1A1
SCHEMBL134382 0.83 CTRC (0.48) FOLH1
SCHEMBL134381 0.83 CTRC (0.48) FOLH1
SCHEMBL3943247 0.82 ALDH1A1 (0.37) FOLH1RAB9AKDM4EALDH1A1TDP1
SCHEMBL8054966 0.82 CTRC (0.50) MMP3
SCHEMBL4955699 0.82 PTGES (0.48) FOLH1KDM4EALDH1A1MMP3
SCHEMBL3319286 0.82 PTGES (0.48) FOLH1KDM4EALDH1A1MMP3
SCHEMBL16898377 0.80 NPC1 (0.44) FOLH1NPC1RAB9AGRIK1CYP1A2
SCHEMBL16898375 0.80 NPC1 (0.44) FOLH1NPC1RAB9AGRIK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507726-B2 Peptide deformylase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2009-03-24 US disclosed
EP-1654239-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-10-01 EP disclosed
US-20080167302-A1 Peptide Deformylase Inhibitors GLAXOSMITHKLINE LLC 2008-07-10 US disclosed
EP-1654239-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005017124-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO 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-20080167302-A1 Peptide Deformylase Inhibitors PDF, PEPD, DPEP1 FOLH1 415/4885NPC1 1328/4885RAB9A 2101/4885

“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.