SCHEMBL5656828

SCHEMBL5656828

CS(=O)(=O)N1CCN(c2ccc(C3=NOC(CNc4ccon4)C3)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
SYK P43405 1/20 0.45
KCNH2 Q12809 1/20 0.45
MIF P14174 12/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2E1 P05181 1/20 0.39
MAOB P27338 1/20 0.35
RORC P51449 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
SCHEMBL5655207 0.87 MIF (0.45) KDRSYKMIFALDH1A1MAOA
SCHEMBL5654348 0.86 PDE3B (0.42) KDRSYKMIFLMNAMAOA
SCHEMBL5654353 0.86 PDE3B (0.42) KDRSYKMIFLMNAMAOA
SCHEMBL5655995 0.86 MIF (0.40) MIFMAOACYP2E1
SCHEMBL5656000 0.86 MIF (0.40) MIFMAOACYP2E1
SCHEMBL5654102 0.85 MIF (0.39) KDRSYKKCNH2MIFMAOA
SCHEMBL5654967 0.85 MIF (0.39) MIFMAOACYP2E1MAOB
SCHEMBL5654108 0.85 MIF (0.39) KDRSYKKCNH2MIFMAOA
SCHEMBL5654974 0.85 MIF (0.39) MIFMAOACYP2E1MAOB
SCHEMBL5655616 0.84 MIF (0.38) MIFMAOACYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP claimed
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US disclosed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP disclosed
EP-1242416-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001040222-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2001-06-07 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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 KDR 4843/4885SYK 2350/4885KCNH2 849/4885

“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.