SCHEMBL5997

SCHEMBL5997

NC(=O)CCCc1ccc(-c2ccc3c(c2)CNC3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 3/20 0.50
GSK3B P49841 3/20 0.47
CLK4 Q9HAZ1 2/20 0.47
NTRK1 P04629 2/20 0.47
FLT3 P36888 2/20 0.47
DAPK3 O43293 1/20 0.47
PIM1 P11309 1/20 0.47
ROCK1 Q13464 1/20 0.47
CTSC P53634 2/20 0.43
CTSK P43235 1/20 0.43
TDP2 O95551 4/20 0.43
NTRK2 Q16620 2/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
JAK2 O60674 1/20 0.42
MET P08581 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42

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
SCHEMBL11574 0.90 NTRK2 (0.56) PRF1GSK3BCLK4NTRK1FLT3
SCHEMBL28178421 0.74 PARP11 (0.55) CLK4NTRK2TYRO3DYRK1BPARP11
SCHEMBL8167297 0.73 CLK4 (0.75) PRF1GSK3BCLK4NTRK1FLT3
SCHEMBL5998 0.72 PRF1 (0.48) PRF1GSK3BCLK4NTRK1FLT3
SCHEMBL21045203 0.71 SMN1; SMN2 (0.63) KDR
SCHEMBL11898576 0.70 TP53 (0.58) GSK3BCLK4NTRK1FLT3DAPK3
SCHEMBL933900 0.70 CYP17A1 (0.51) ROCK1TBK1
SCHEMBL4597521 0.70 CA12 (0.48) PRF1GSK3BCLK4NTRK1FLT3
SCHEMBL12193961 0.70 CA12 (0.48) PRF1GSK3BCLK4NTRK1FLT3
SCHEMBL30073094 0.70 CA12 (0.48) PRF1GSK3BCLK4NTRK1FLT3

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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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 (2 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT PRF1 3769/4885GSK3B 2828/4885CLK4 3296/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A PRF1 3634/4885GSK3B 2116/4885CLK4 2560/4885

“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.