SCHEMBL3073052

SCHEMBL3073052

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CHRM1 P11229 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
HCRTR2 O43614 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL581102 1.00 GAA (0.35) GAAALDH1A1MAPTMGAMSI
SCHEMBL581103 1.00 GAA (0.35) GAAALDH1A1MAPTMGAMSI
SCHEMBL587189 0.89 MAPT (0.34) GAAALDH1A1MAPTMGAMSI
SCHEMBL580755 0.83 GAA (0.35) GAAALDH1A1MAPTMGAMSI
SCHEMBL3088433 0.83 GAA (0.35) GAAALDH1A1MAPTMGAMSI
SCHEMBL3079270 0.83 GAA (0.35) GAAALDH1A1MAPTMGAMSI
SCHEMBL581442 0.81 GAA (0.34) GAAALDH1A1MAPTMGAMSI
SCHEMBL579724 0.81 ALDH1A1 (0.38) GAAALDH1A1CHRM1TSHRL3MBTL1
SCHEMBL3069770 0.81 GAA (0.34) GAAALDH1A1MAPTMGAMSI
SCHEMBL3085537 0.81 ALDH1A1 (0.38) GAAALDH1A1CHRM1TSHRL3MBTL1

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 4714/4885ALDH1A1 2598/4885MAPT 4513/4885

“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.