SCHEMBL586492

SCHEMBL586492

COC(=O)C1CCN(C(=O)OC)C(Cc2cc(F)ccc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.49
DPP8 Q6V1X1 3/20 0.49
DPP7 Q9UHL4 2/20 0.49
DPP9 Q86TI2 1/20 0.49
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
OPRK1 P41145 1/20 0.41
ECE1 P42892 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
HCRTR2 O43614 1/20 0.37
MMP1 P03956 2/20 0.37
ADAM17 P78536 2/20 0.37
TP53 P04637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL586861 0.91 ALDH1A1 (0.47) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL581500 0.91 DPP4 (0.43) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL586962 0.87 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL581683 0.85 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL3076465 0.85 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL3080101 0.85 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL588023 0.84 OPRK1 (0.45) ALDH1A1HTTCYP3A4OPRK1MMP1
SCHEMBL587316 0.83 ALDH1A1 (0.47) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL587215 0.83 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL586767 0.83 ALDH1A1 (0.43) ALDH1A1OPRK1SIGMAR1MAPTHPGD

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 2144/4885DPP7 3706/4885

“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.