SCHEMBL587299

SCHEMBL587299

COC(=O)C1CCN(C(=O)OC)C(c2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
OPRK1 P41145 1/20 0.36
P2RX7 Q99572 3/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP1 P03956 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL587629 0.95 ALDH1A1 (0.34) DPP4DPP8DPP9DPP7OPRK1
SCHEMBL586973 0.90 OPRK1 (0.39) DPP4DPP8DPP9DPP7OPRK1
SCHEMBL580849 0.90 P2RX7 (0.35) P2RX7NPSR1
SCHEMBL581842 0.88 MAPT (0.39) DPP4DPP8DPP9DPP7OPRK1
SCHEMBL586638 0.88 DPP4 (0.39) DPP4DPP8DPP9DPP7OPRK1
SCHEMBL586626 0.86 OPRK1 (0.37) DPP4DPP8DPP9DPP7OPRK1
SCHEMBL586604 0.85 OPRK1 (0.43) OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL586775 0.84 MAPT (0.36) DPP4DPP8DPP9DPP7OPRK1
SCHEMBL587515 0.84 FFAR2 (0.39) DPP4DPP8DPP9DPP7OPRK1
SCHEMBL3079872 0.84 OPRK1 (0.41) OPRK1TP53ALDH1A1MAPTHSP90AA1

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 DPP4 754/4885DPP8 2144/4885DPP9 3914/4885

“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.