SCHEMBL580849

SCHEMBL580849

COC(=O)N1CCC(C(=O)O)CC1c1cc(F)c(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.35
NOTUM Q6P988 3/20 0.33
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCR2 P41597 3/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CPS1 P31327 1/20 0.32
CASP3 P42574 2/20 0.31

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
SCHEMBL587629 0.95 ALDH1A1 (0.34) P2RX7HPGDNPSR1HSD17B10
SCHEMBL580874 0.90 CHRNB4 (0.35) NOTUMCHRNB4CHRNA3
SCHEMBL587299 0.90 DPP4 (0.36) P2RX7NPSR1
SCHEMBL581653 0.88 NOTUM (0.37) NOTUM
SCHEMBL580676 0.88 FFAR2 (0.41) P2RX7HCRTR2
SCHEMBL586626 0.86 OPRK1 (0.37) NPSR1CHRNB4CHRNA3
SCHEMBL3081192 0.85 NOTUM (0.37) NOTUMCHRM2KDM4EUSP2HPGD
SCHEMBL580878 0.85 OPRK1 (0.40) NOTUMCHRNA3
SCHEMBL586775 0.84 MAPT (0.36) NOTUMHPGDNPSR1HSD17B10
SCHEMBL587515 0.84 FFAR2 (0.39) P2RX7HCRTR2NPSR1

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
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
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 P2RX7 873/4885NOTUM 2559/4885HCRTR2 30/4885

“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.