SCHEMBL3073261

SCHEMBL3073261

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](CCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
OPRM1 P35372 1/20 0.39
CCR8 P51685 1/20 0.39

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
SCHEMBL3080016 1.00 PKM (0.42) PKMNPSR1MEN1KMT2APOLB
SCHEMBL581685 1.00 PKM (0.42) PKMNPSR1MEN1KMT2APOLB
SCHEMBL581334 0.90 CACNA1G (0.38) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL581333 0.90 CACNA1G (0.38) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL3085356 0.90 CACNA1G (0.38) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL581342 0.90 NPSR1 (0.43) PKMNPSR1MEN1KMT2AL3MBTL1
SCHEMBL3073450 0.90 NPSR1 (0.43) PKMNPSR1MEN1KMT2AL3MBTL1
SCHEMBL3072810 0.90 NPSR1 (0.43) PKMNPSR1MEN1KMT2AL3MBTL1
SCHEMBL586938 0.89 FFAR4 (0.37) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL586937 0.89 FFAR4 (0.37) MEN1KMT2AL3MBTL1ALDH1A1KDM4E

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 2 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
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 239/4885MEN1 3757/4885

“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.