SCHEMBL5655145

SCHEMBL5655145

Fc1cc(C2=NO[C@H](COc3ccon3)C2)ccc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.42
PDE3A Q14432 5/20 0.42
MIF P14174 8/20 0.40
TBK1 Q9UHD2 2/20 0.38
RAB9A P51151 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
KDR P35968 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL5655143 1.00 PDE3B (0.42) PDE3BPDE3AMIFTBK1RAB9A
SCHEMBL5654239 0.90 MIF (0.39) PDE3BPDE3AMIF
SCHEMBL5654140 0.90 MIF (0.39) PDE3BPDE3AMIF
SCHEMBL5654137 0.90 MIF (0.39) PDE3BPDE3AMIF
SCHEMBL5654236 0.90 MIF (0.39) PDE3BPDE3AMIF
SCHEMBL5653151 0.88 MIF (0.38) PDE3BPDE3AMIF
SCHEMBL6173311 0.88 MIF (0.40) PDE3BPDE3AMIF
SCHEMBL5653159 0.88 MIF (0.38) PDE3BPDE3AMIF
SCHEMBL5654369 0.88 MIF (0.40) PDE3BPDE3AMIF
SCHEMBL5653481 0.86 MIF (0.40) MIFKDRSYK

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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US disclosed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP 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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 PDE3B 1308/4885PDE3A 1613/4885MIF 4704/4885

“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.