SCHEMBL580969

SCHEMBL580969

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(c2cc(F)c(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 4/20 0.32
RBP4 P02753 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CHRM1 P11229 3/20 0.31
POLB P06746 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 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
SCHEMBL581341 1.00 EPHX2 (0.35) EPHX2ALDH1A1TDP1KDM4ERBP4
SCHEMBL3075420 1.00 EPHX2 (0.35) EPHX2ALDH1A1TDP1KDM4ERBP4
SCHEMBL581047 0.90 ALDH1A1 (0.35) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL3078762 0.90 ALDH1A1 (0.35) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL3074921 0.90 ALDH1A1 (0.35) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL3063338 0.88 KDM4E (0.37) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL581760 0.88 KDM4E (0.37) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL581133 0.88 KDM4E (0.37) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL581628 0.88 EPHX2 (0.44) EPHX2ALDH1A1TDP1KDM4EKMT2A
SCHEMBL580838 0.86 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EKMT2AMEN1

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 EPHX2 3080/4885ALDH1A1 2598/4885TDP1 3355/4885

“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.