SCHEMBL586675

SCHEMBL586675

O=C(O)C1CCN(C(=O)O)C(c2ccc(OC(F)(F)F)cc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.50
NOTUM Q6P988 2/20 0.50
HSD11B1 P28845 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
CHRM4 P08173 1/20 0.39
MGLL Q99685 2/20 0.39
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ENPP2 Q13822 1/20 0.36
LIPE Q05469 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
SCHEMBL580859 0.89 FFAR4 (0.47) FFAR4NOTUMHSD11B1PDE4APDE4B
Hydrochloric Acid SCHEMBL581934 0.85 FFAR4 (0.40) FFAR4NOTUMHSD11B1PDE4APDE4B
SCHEMBL582163 0.83 NOTUM (0.46) FFAR4NOTUMHSD11B1
SCHEMBL3086468 0.82 NOTUM (0.42) NOTUMHSD11B1DPP4DPP8DPP7
SCHEMBL587408 0.81 FFAR4 (0.40) FFAR4NOTUMHSD11B1CHRM4MGLL
SCHEMBL581486 0.80 FFAR4 (0.40) FFAR4NOTUMHSD11B1CHRM4ENPP2
SCHEMBL582014 0.80 NOTUM (0.43) NOTUMHSD11B1MGLLDPP4
SCHEMBL581391 0.78 PLG (0.38) FFAR4NOTUMCHRM4
SCHEMBL3075498 0.78 NOTUM (0.37) NOTUMDPP4DPP8DPP7
SCHEMBL582008 0.75 POLB (0.42) FFAR4NOTUMHSD11B1CHRM4ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 FFAR4 10/4885NOTUM 2559/4885HSD11B1 1197/4885

“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.