SCHEMBL587638

SCHEMBL587638

COC(=O)C1CCN(C(=O)OC)C(c2ccc(C(F)(F)F)c(C)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
CHRNA1 P02708 3/20 0.35
CHRNG P07510 3/20 0.35
ITGA5 P08648 3/20 0.35
CHRNB1 P11230 3/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRND Q07001 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDK2 Q15119 1/20 0.34
EPHX2 P34913 2/20 0.34
OPRK1 P41145 1/20 0.34
HSD11B1 P28845 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
SCHEMBL581075 0.92 NOTUM (0.39) EPHX2OPRK1
SCHEMBL586871 0.89 EPHX2 (0.39) MAPTTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL3080499 0.85 EPHX2 (0.37) ALDH1A1KDM4EEPHX2OPRK1
SCHEMBL581321 0.85 EPHX2 (0.37) ALDH1A1KDM4EEPHX2OPRK1
SCHEMBL581320 0.85 EPHX2 (0.37) ALDH1A1KDM4EEPHX2OPRK1
SCHEMBL586946 0.83 TDP1 (0.45) MAPTTDP1ALDH1A1KDM4E
SCHEMBL586920 0.82 MAPT (0.42) MAPTTDP1ALDH1A1KDM4EEPHX2
SCHEMBL586638 0.81 DPP4 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1OPRK1
SCHEMBL580803 0.81 NOTUM (0.42) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL580669 0.80 NOTUM (0.41) ALDH1A1KDM4E

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 3355/4885SLC6A2 325/4885

“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.