SCHEMBL580676

SCHEMBL580676

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.41
HCRTR2 O43614 1/20 0.38
P2RX7 Q99572 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A9 P48067 3/20 0.37
ALDH1A1 P00352 1/20 0.37
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
KDM1A O60341 1/20 0.36
USP5 P45974 1/20 0.36
TSHR P16473 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
SCHEMBL587515 0.96 FFAR2 (0.39) FFAR2HCRTR2P2RX7OPRK1ALDH1A1
SCHEMBL586638 0.91 DPP4 (0.39) FFAR2HCRTR2P2RX7OPRK1SLC6A9
SCHEMBL580878 0.90 OPRK1 (0.40) OPRK1
SCHEMBL580849 0.88 P2RX7 (0.35) HCRTR2P2RX7
SCHEMBL580803 0.88 NOTUM (0.42) KDM1A
SCHEMBL581784 0.86 NOTUM (0.44) FFAR2ALDH1A1
SCHEMBL582066 0.86 SLC6A9 (0.40) FFAR2SLC6A9TSHR
SCHEMBL580874 0.86 CHRNB4 (0.35) OPRK1
SCHEMBL581832 0.84 NOTUM (0.44)
SCHEMBL581653 0.84 NOTUM (0.37)

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 FFAR2 226/4885HCRTR2 30/4885P2RX7 873/4885

“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.