SCHEMBL586917

SCHEMBL586917

COC(=O)N1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 9/20 0.43
CTSK P43235 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
SLC6A2 P23975 1/20 0.34
LIPE Q05469 1/20 0.34
RORC P51449 1/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL581153 1.00 PLG (0.43) PLGCTSKGABRA1GABRG2GABRB3
SCHEMBL588272 0.92 PLG (0.42) PLGCTSKGABRA1GABRG2GABRB3
SCHEMBL598012 0.91 PLG (0.42) PLGGABRA1GABRG2GABRB3LIPE
SCHEMBL3069533 0.91 PLG (0.42) PLGGABRA1GABRG2GABRB3LIPE
SCHEMBL588248 0.91 PLG (0.42) PLGGABRA1GABRG2GABRB3LIPE
SCHEMBL580825 0.91 PLG (0.42) PLGGABRA1GABRG2GABRB3LIPE
SCHEMBL587074 0.90 PLG (0.41) PLGMGLL
SCHEMBL581380 0.90 PLG (0.41) PLGMGLL
SCHEMBL3073135 0.90 PLG (0.41) PLGMGLL
SCHEMBL27869818 0.89 PLG (0.45) PLGCTSKGABRA1GABRG2GABRB3

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 4861/4885CTSK 4722/4885GABRA1 237/4885

“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.