SCHEMBL582000

SCHEMBL582000

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 9/20 0.39
TRPM8 Q7Z2W7 2/20 0.35
EPHX2 P34913 1/20 0.35
RORC P51449 1/20 0.34
PDE2A O00408 5/20 0.34
KDM1A O60341 1/20 0.33
KCNH2 Q12809 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL582216 1.00 PLG (0.39) PLGTRPM8EPHX2RORCPDE2A
SCHEMBL581999 1.00 PLG (0.39) PLGTRPM8EPHX2RORCPDE2A
SCHEMBL591608 0.91 PLG (0.39) PLGPDE2AGABRA1GABRG2GABRB3
SCHEMBL3075349 0.91 PLG (0.39) PLGPDE2AGABRA1GABRG2GABRB3
SCHEMBL581536 0.91 PLG (0.39) PLGPDE2AGABRA1GABRG2GABRB3
SCHEMBL582622 0.91 PLG (0.39) PLGPDE2AGABRA1GABRG2GABRB3
SCHEMBL587254 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL3075765 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL587381 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL581148 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3

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 4861/4885TRPM8 2189/4885EPHX2 3080/4885

“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.