SCHEMBL581349

SCHEMBL581349

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(CC(C)(C)c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
LTA4H P09960 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL581350 1.00 PKM (0.36) PKMNPSR1HTTPOLBSMN1; SMN2
SCHEMBL581678 1.00 PKM (0.36) PKMNPSR1HTTPOLBSMN1; SMN2
SCHEMBL582211 0.87 POLB (0.40) PKMNPSR1POLBSMN1; SMN2KDM4E
SCHEMBL581880 0.85 NPC1 (0.38) NPSR1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL580755 0.84 GAA (0.35) HTTSMN1; SMN2CHRM1MEN1KMT2A
SCHEMBL3088433 0.84 GAA (0.35) HTTSMN1; SMN2CHRM1MEN1KMT2A
SCHEMBL3079270 0.84 GAA (0.35) HTTSMN1; SMN2CHRM1MEN1KMT2A
SCHEMBL3073450 0.84 NPSR1 (0.43) PKMNPSR1HTTSMN1; SMN2NPC1
SCHEMBL581342 0.84 NPSR1 (0.43) PKMNPSR1HTTSMN1; SMN2NPC1
SCHEMBL3072810 0.84 NPSR1 (0.43) PKMNPSR1HTTSMN1; SMN2NPC1

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 PKM 4789/4885NPSR1 239/4885HTT 2375/4885

“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.