SCHEMBL580684

SCHEMBL580684

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.42
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
IDH2 P48735 1/20 0.39
FFAR2 O15552 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
TACR1 P25103 3/20 0.36
MGLL Q99685 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A9 P48067 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL587743 0.92 MAPT (0.41) MEN1TSHRKMT2AUBE2MDCUN1D1
SCHEMBL581119 0.90 NOTUM (0.43) NOTUMIDH2FFAR2TACR1SIGMAR1
SCHEMBL582163 0.88 NOTUM (0.46) NOTUMMEN1TSHRKMT2AIDH2
SCHEMBL581326 0.87 TP53 (0.41) NOTUMKMT2ASLC6A9HTT
SCHEMBL587057 0.87 TACR1 (0.40) NOTUMIDH2FFAR2TACR1MAPT
SCHEMBL580859 0.85 FFAR4 (0.47) NOTUMTACR1MGLL
SCHEMBL582067 0.85 CYP2C9 (0.41) NOTUMKMT2AMAPT
SCHEMBL581169 0.85 CYP11B1 (0.39) TACR1MGLLKDM4EHTTTMEM97
SCHEMBL599010 0.85 CYP11B1 (0.39) TACR1MGLLKDM4EHTTTMEM97
SCHEMBL581644 0.85 CYP11B1 (0.39) TACR1MGLLKDM4EHTTTMEM97

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 2559/4885MEN1 3757/4885TSHR 92/4885

“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.