SCHEMBL581744

SCHEMBL581744

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.46
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PREP P48147 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
SCHEMBL28812553 1.00 PLG (0.46) PLGALDH1A1TDP1GABRA1GABRG2
SCHEMBL27965529 1.00 PLG (0.46) PLGALDH1A1TDP1GABRA1GABRG2
SCHEMBL582460 0.92 PLG (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL28812155 0.92 PLG (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL28812145 0.92 PLG (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL586991 0.89 PLG (0.59) PLGGABRA1GABRG2GABRB3
SCHEMBL3075971 0.89 PLG (0.43) PLGALDH1A1TDP1EGLN2EGLN1
SCHEMBL586721 0.89 PLG (0.43) PLGALDH1A1TDP1EGLN2EGLN1
SCHEMBL582146 0.89 PLG (0.43) PLGALDH1A1TDP1EGLN2EGLN1
SCHEMBL587396 0.89 PLG (0.43) PLGALDH1A1TDP1EGLN2EGLN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
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 4861/4885ALDH1A1 2598/4885TDP1 3355/4885

“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.