SCHEMBL581391

SCHEMBL581391

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 10/20 0.38
FFAR4 Q5NUL3 4/20 0.36
RORC P51449 2/20 0.34
NOTUM Q6P988 1/20 0.34
PDE2A O00408 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
CHRM4 P08173 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
SCHEMBL3075019 0.90 PLG (0.38) PLGRORCPDE2A
SCHEMBL3072586 0.90 PLG (0.38) PLGRORCPDE2A
SCHEMBL581390 0.90 PLG (0.38) PLGRORCPDE2A
SCHEMBL581389 0.90 PLG (0.38) PLGRORCPDE2A
SCHEMBL586989 0.88 RORC (0.32) PLGRORC
SCHEMBL27869770 0.88 PLG (0.38) PLGFFAR4NOTUMPDE2ACHRM4
SCHEMBL582807 0.86 PLG (0.40) PLGPDE2AGABRA1GABRG2GABRB3
SCHEMBL582131 0.86 PLG (0.45) PLGPDE2AGABRA1GABRG2GABRB3
SCHEMBL3075689 0.86 PLG (0.43) PLGRORCGABRA1GABRG2GABRB3
SCHEMBL27869863 0.85 PLG (0.38) PLGFFAR4RORCPDE2A

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 4861/4885FFAR4 10/4885RORC 1019/4885

“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.