SCHEMBL581047

SCHEMBL581047

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 3/20 0.34
P2RX7 Q99572 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRM1 P11229 3/20 0.33
HCRTR2 O43614 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR2 P41597 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL3074921 1.00 ALDH1A1 (0.35) ALDH1A1TDP1KDM4EP2RX7MEN1
SCHEMBL3078762 1.00 ALDH1A1 (0.35) ALDH1A1TDP1KDM4EP2RX7MEN1
SCHEMBL3063338 0.92 KDM4E (0.37) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL581760 0.92 KDM4E (0.37) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL581133 0.92 KDM4E (0.37) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL3075420 0.90 EPHX2 (0.35) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL581341 0.90 EPHX2 (0.35) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL580969 0.90 EPHX2 (0.35) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL3072798 0.90 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EP2RX7MEN1
SCHEMBL3072590 0.90 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EP2RX7MEN1

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 ALDH1A1 2598/4885TDP1 3355/4885KDM4E 2668/4885

“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.