SCHEMBL586991

SCHEMBL586991

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 12/20 0.59
ATM Q13315 3/20 0.39
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL28812145 0.89 PLG (0.46) PLGDPP4DPP8DPP7GABRA1
SCHEMBL582460 0.89 PLG (0.46) PLGDPP4DPP8DPP7GABRA1
SCHEMBL581744 0.89 PLG (0.46) PLGGABRA1GABRG2GABRB3
SCHEMBL28812553 0.89 PLG (0.46) PLGGABRA1GABRG2GABRB3
SCHEMBL28812155 0.89 PLG (0.46) PLGDPP4DPP8DPP7GABRA1
SCHEMBL27965529 0.89 PLG (0.46) PLGGABRA1GABRG2GABRB3
SCHEMBL582134 0.89 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL27965648 0.89 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL27965673 0.89 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL581748 0.89 PLG (0.56) PLGATMDPP4DPP8DPP7

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 4861/4885ATM 4354/4885DPP4 754/4885

“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.