SCHEMBL580803

SCHEMBL580803

COC(=O)N1CCC(C(=O)O)CC1c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.42
KDM1A O60341 1/20 0.41
EPHX2 P34913 9/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
CHRM2 P08172 1/20 0.34
DRD2 P14416 1/20 0.34
CHRNB2 P17787 1/20 0.34
DRD4 P21917 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
DRD3 P35462 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
KCNH2 Q12809 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
SCHEMBL586871 0.92 EPHX2 (0.39) NOTUMKDM1AEPHX2TRPM8
SCHEMBL581075 0.89 NOTUM (0.39) NOTUMEPHX2
SCHEMBL582069 0.89 EPHX2 (0.42) NOTUMKDM1AEPHX2TRPM8
SCHEMBL580676 0.88 FFAR2 (0.41) KDM1A
SCHEMBL581460 0.88 KDM1A (0.46) NOTUMKDM1AEPHX2TRPM8CHRM2
SCHEMBL581653 0.86 NOTUM (0.37) NOTUM
SCHEMBL580878 0.85 OPRK1 (0.40) NOTUMDRD4CHRNA3DRD3
SCHEMBL581628 0.85 EPHX2 (0.44) KDM1AEPHX2TRPM8
SCHEMBL587515 0.84 FFAR2 (0.39)
SCHEMBL582132 0.83 NOTUM (0.47) NOTUMEPHX2

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 5 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
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 NOTUM 2559/4885KDM1A 4032/4885EPHX2 3080/4885

“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.