SCHEMBL586920

SCHEMBL586920

COC(=O)C1CCN(C(=O)OC)C(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GUSB P08236 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
SLC6A9 P48067 1/20 0.41
NOTUM Q6P988 1/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.39
DRD2 P14416 1/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL586941 0.96 NOTUM (0.45) MAPTTDP1KDM4EGUSBUBE2M
SCHEMBL580827 0.91 NOTUM (0.48) TDP1KDM4EGUSBUBE2MDCUN1D1
SCHEMBL587031 0.90 RIPK1 (0.36) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL586946 0.86 TDP1 (0.45) MAPTTDP1KDM4ENOTUMALDH1A1
SCHEMBL586480 0.85 TACR1 (0.42) MAPTTDP1UBE2MDCUN1D1
SCHEMBL580798 0.84 ALDH1A1 (0.49) GUSBLMNAALDH1A1KMT2APOLB
SCHEMBL3073129 0.84 ALDH1A1 (0.49) GUSBLMNAALDH1A1KMT2APOLB
SCHEMBL3062815 0.84 ALDH1A1 (0.49) GUSBLMNAALDH1A1KMT2APOLB
SCHEMBL587743 0.84 MAPT (0.41) MAPTTDP1KDM4EUBE2MDCUN1D1
SCHEMBL586674 0.83 NOTUM (0.44) MAPTTDP1KDM4ESLC6A9NOTUM

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 MAPT 4513/4885TDP1 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.