SCHEMBL581776

SCHEMBL581776

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A2 P23975 1/20 0.35
TP53 P04637 1/20 0.35
RIPK1 Q13546 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3076421 1.00 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2USP2
SCHEMBL3075881 0.91 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3081049 0.91 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL581482 0.91 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL581242 0.88 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTRIPK1
SCHEMBL3075467 0.88 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTCYP2C19
SCHEMBL581313 0.88 GAA (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL580925 0.88 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTCYP2C19
SCHEMBL3075410 0.88 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTCYP2C19
SCHEMBL3072815 0.88 GAA (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 3820/4885ALDH1A1 2598/4885

“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.