SCHEMBL581816

SCHEMBL581816

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 9/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HDAC4 P56524 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34

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
SCHEMBL582454 0.89 PLG (0.39) PLGHRH3HDAC4EGLN2EGLN1
SCHEMBL603159 0.89 PLG (0.39) PLGHRH3HDAC4EGLN2EGLN1
SCHEMBL581072 0.89 PLG (0.39) PLGHRH3HDAC4EGLN2EGLN1
SCHEMBL624657 0.89 PLG (0.39) PLGHRH3HDAC4EGLN2EGLN1
SCHEMBL27965574 0.87 PLG (0.38) PLGHRH3HDAC4EGLN2EGLN1
SCHEMBL581113 0.85 PLG (0.46) PLGHRH3GABRA1GABRG2GABRB3
SCHEMBL580805 0.85 PLG (0.43) PLGGABRA1GABRG2GABRB3PSEN1
SCHEMBL27965569 0.84 PLG (0.39) PLGHRH3HDAC4EGLN2EGLN1
SCHEMBL581798 0.83 PLG (0.39) PLGHRH3EGLN2EGLN1EGLN3
SCHEMBL581081 0.82 PLG (0.40) 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 4861/4885HRH3 394/4885HDAC4 39/4885

“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.