SCHEMBL580859

SCHEMBL580859

COC(=O)N1CCC(C(=O)O)CC1c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.47
NOTUM Q6P988 1/20 0.47
HSD11B1 P28845 2/20 0.39
CHRM4 P08173 1/20 0.39
ENPP2 Q13822 1/20 0.38
HCRTR2 O43614 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
TACR1 P25103 1/20 0.37
EPHX2 P34913 2/20 0.36
MGLL Q99685 1/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL587408 0.92 FFAR4 (0.40) FFAR4NOTUMHSD11B1CHRM4ENPP2
SCHEMBL581486 0.90 FFAR4 (0.40) FFAR4NOTUMHSD11B1CHRM4ENPP2
SCHEMBL586675 0.89 FFAR4 (0.50) FFAR4NOTUMHSD11B1CHRM4ENPP2
SCHEMBL580684 0.85 NOTUM (0.42) NOTUMTACR1MGLL
SCHEMBL582329 0.85 POLB (0.42) FFAR4NOTUMHSD11B1CHRM4ENPP2
SCHEMBL582009 0.85 POLB (0.42) FFAR4NOTUMHSD11B1CHRM4ENPP2
SCHEMBL582008 0.85 POLB (0.42) FFAR4NOTUMHSD11B1CHRM4ENPP2
SCHEMBL581326 0.85 TP53 (0.41) NOTUMHCRTR2POLBCHRM3
SCHEMBL582067 0.83 CYP2C9 (0.41) NOTUMEPHX2CHRM3
Hydrochloric Acid SCHEMBL581934 0.82 FFAR4 (0.40) FFAR4NOTUMHSD11B1CHRM4ENPP2

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 FFAR4 10/4885NOTUM 2559/4885HSD11B1 1197/4885

“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.