SCHEMBL581269

SCHEMBL581269

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
TACR1 P25103 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 4/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CETP P11597 3/20 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
SCHEMBL3087575 1.00 MEN1 (0.36) MEN1KMT2AGAAPKMHTT
SCHEMBL581268 1.00 MEN1 (0.36) MEN1KMT2AGAAPKMHTT
SCHEMBL582047 0.90 MEN1 (0.42) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL3073122 0.90 MEN1 (0.42) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL582515 0.90 MEN1 (0.42) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL581942 0.87 KMT2A (0.37) MEN1KMT2AGAAPKMHTT
SCHEMBL581858 0.86 CYP3A4 (0.38) HTTTACR1MAPTALDH1A1SMN1; SMN2
SCHEMBL581857 0.86 CYP3A4 (0.38) HTTTACR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3074811 0.86 CYP3A4 (0.38) HTTTACR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3069035 0.86 CHRM1 (0.38) MEN1KMT2AHTTTACR1MAPT

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 MEN1 3757/4885KMT2A 3820/4885GAA 4714/4885

“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.