SCHEMBL5388767

SCHEMBL5388767

NC(=O)/C=C/c1ccc(Cl)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 1/20 0.44
PYGL P06737 7/20 0.44
KCNA3 P22001 1/20 0.42
KDR P35968 3/20 0.41
MET P08581 2/20 0.41
AURKA O14965 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
FGFR2 P21802 1/20 0.41
EPHA2 P29317 1/20 0.41
LTK P29376 1/20 0.41
AXL P30530 1/20 0.41
FLT3 P36888 1/20 0.41
MST1R Q04912 1/20 0.41
PTK6 Q13882 1/20 0.41
GUSB P08236 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL5388770 1.00 PELI1 (0.44) PELI1PYGLKCNA3KDRMET
SCHEMBL8147089 0.86 PELI1 (0.44) PELI1PYGLKDRMETAURKA
SCHEMBL8147095 0.86 PELI1 (0.44) PELI1PYGLKDRMETAURKA
SCHEMBL1344144 0.84 KDM4E (0.53) PYGLKCNA3TDP1
SCHEMBL13858840 0.84 PYGL (0.45) PYGLKCNA3GUSBMAOAMAOB
SCHEMBL13858839 0.84 PYGL (0.45) PYGLKCNA3GUSBMAOAMAOB
SCHEMBL1344147 0.84 KDM4E (0.53) PYGLKCNA3TDP1
SCHEMBL8153637 0.84 PTGS2 (0.53) PELI1KDRPTGS2
SCHEMBL7621027 0.84 PTGS2 (0.53) PELI1KDRPTGS2
SCHEMBL5380483 0.84 PYGL (0.60) PYGLGUSBPTGS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247649-B2 Oxazoles, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
CN-1835947-A Novel oxazoles, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-09-20 CN disclosed
EP-1656371-A2 NOVEL OXAZOLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-6984653-B2 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-10 US disclosed
WO-2005016921-A2 NOVEL OXAZOLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed
US-20050038091-A1 Novel oxazoles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 US disclosed
US-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 US disclosed
EP-1439178-A1 HETEROCYCLIC COMPOUNDS, OXAZOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-21 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 (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-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof ABL1, JAK1, BTK PELI1 3084/4885PYGL 1127/4885KCNA3 822/4885
US-20050038091-A1 Novel oxazoles, their manufacture and use as pharmaceutical agents OXA1L, CYP11B2, RORB PELI1 1615/4885PYGL 28/4885KCNA3 3709/4885

“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.