SCHEMBL581898

SCHEMBL581898

COC(=O)C1CCNC(Cc2ccccc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.52
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DPP9 Q86TI2 1/20 0.38
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SCN3A Q9NY46 1/20 0.36
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL580896 0.87 ALDH1A1 (0.43) PLGDPP4DPP8DPP7ALDH1A1
SCHEMBL580853 0.87 DPP4 (0.48) PLGDPP4DPP8DPP7ALDH1A1
SCHEMBL580694 0.86 CYP3A4 (0.41) PLGALDH1A1KDM4EKMT2AMEN1
SCHEMBL581867 0.85 KDM4E (0.43) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL582378 0.84 PLG (0.40) PLGALDH1A1KCNH2KDM4ERAB9A
SCHEMBL580899 0.82 PLG (0.48) PLGALDH1A1NPSR1SLC6A2SLC6A4
SCHEMBL581181 0.81 ALDH1A1 (0.42) PLGDPP4DPP8DPP7ALDH1A1
SCHEMBL580826 0.80 PLG (0.50) PLGSLC6A2SLC6A4SLC6A3
SCHEMBL581503 0.80 PLG (0.53) PLGKMT2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL581112 0.79 HTR2A (0.36) PLGDPP4DPP8DPP7DPP9

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 PLG 4861/4885DPP4 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.