SCHEMBL581500

SCHEMBL581500

COC(=O)N1CCC(C(=O)O)CC1Cc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
DPP8 Q6V1X1 4/20 0.43
DPP7 Q9UHL4 3/20 0.43
DPP9 Q86TI2 2/20 0.43
ECE1 P42892 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
HCRTR2 O43614 1/20 0.37
CCR3 P51677 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 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
SCHEMBL582105 0.91 ALDH1A1 (0.45) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL586492 0.91 DPP4 (0.49) DPP4DPP8DPP7DPP9ECE1
SCHEMBL581222 0.88 DPP4 (0.47) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL581906 0.87 NOTUM (0.41) DPP4ALDH1A1SIGMAR1SMN1; SMN2NOTUM
SCHEMBL3076465 0.85 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ECE1
SCHEMBL581683 0.85 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ECE1
SCHEMBL3080101 0.85 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ECE1
SCHEMBL580834 0.84 NOTUM (0.41) ALDH1A1HTTCYP3A4CCR3TSHR
SCHEMBL581092 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4SIGMAR1
SCHEMBL587215 0.83 ALDH1A1 (0.42) DPP4DPP8DPP7DPP9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
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.