SCHEMBL586709

SCHEMBL586709

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP1 P03956 1/20 0.39
ADAM17 P78536 1/20 0.39
SLC6A9 P48067 4/20 0.38
P2RX7 Q99572 1/20 0.38
HCRTR2 O43614 1/20 0.37
RAB9A P51151 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.36
CHRM3 P20309 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
SCHEMBL587829 0.96 DPP4 (0.38) TP53DPP4DPP8DPP9DPP7
SCHEMBL581326 0.91 TP53 (0.41) TP53ALDH1A1TDP1SLC6A9P2RX7
SCHEMBL587216 0.89 KMT2A (0.41) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL3074022 0.87 OPRK1 (0.36) TP53DPP4DPP8DPP9DPP7
SCHEMBL587743 0.87 MAPT (0.41) TDP1SLC6A9KMT2A
SCHEMBL587087 0.85 KMT2A (0.39) ALDH1A1OPRK1SMN1; SMN2KMT2A
SCHEMBL587408 0.85 FFAR4 (0.40) MMP1ADAM17HCRTR2POLBHSD11B1
SCHEMBL581963 0.83 ALDH1A1 (0.44) TP53ALDH1A1TDP1P2RX7HCRTR2
SCHEMBL582016 0.83 ALDH1A1 (0.44) TP53ALDH1A1TDP1P2RX7HCRTR2
SCHEMBL587352 0.83 SLC6A3 (0.44) DPP4DPP8DPP9DPP7MMP1

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 TP53 2618/4885DPP4 754/4885DPP8 2144/4885

“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.