SCHEMBL581330

SCHEMBL581330

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(c2ccc(C(C)(C)C)s2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 3/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 2/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
BRD4 O60885 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3080139 1.00 KMT2A (0.34) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL587318 0.84 SMN1; SMN2 (0.35) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL580595 0.84 YEATS4 (0.34) KMT2ALMNAKDM4EGAAALDH1A1
SCHEMBL581776 0.81 MEN1 (0.44) KMT2AMEN1LMNAMAPTGAA
SCHEMBL3076421 0.81 MEN1 (0.44) KMT2AMEN1LMNAMAPTGAA
SCHEMBL581935 0.79 RIPK1 (0.42) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL581826 0.79 RIPK1 (0.42) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL581827 0.79 RIPK1 (0.42) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL581242 0.78 ALDH1A1 (0.40) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL581313 0.77 GAA (0.40) KMT2AMEN1MAPTKDM4EGAA

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 KMT2A 3820/4885MEN1 3757/4885LMNA 3853/4885

“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.