SCHEMBL3082880

SCHEMBL3082880

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
TSHR P16473 1/20 0.39
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35
MAPT P10636 3/20 0.35
CHRM1 P11229 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3077003 1.00 GAA (0.39) GAATSHRMGAMSIMGAM2
SCHEMBL581347 1.00 GAA (0.39) GAATSHRMGAMSIMGAM2
SCHEMBL16680829 0.87 KMT2A (0.40) GAATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL3074935 0.82 GAA (0.36) GAATSHRMGAMSIMGAM2
SCHEMBL581244 0.82 GAA (0.36) GAATSHRMGAMSIMGAM2
SCHEMBL580903 0.82 GAA (0.36) GAATSHRMGAMSIMGAM2
SCHEMBL580755 0.81 GAA (0.35) GAATSHRMGAMSIMGAM2
SCHEMBL581569 0.81 ALDH1A1 (0.39) GAATSHRALDH1A1KDM4EMAPT
SCHEMBL581102 0.81 GAA (0.35) GAATSHRMGAMSIMGAM2
SCHEMBL3088433 0.81 GAA (0.35) GAATSHRMGAMSIMGAM2

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 GAA 4714/4885TSHR 92/4885MGAM 4541/4885

“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.