SCHEMBL580827

SCHEMBL580827

COC(=O)N1CCC(C(=O)O)CC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
IDH2 P48735 2/20 0.44
KDM4E B2RXH2 1/20 0.41
GUSB P08236 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
SLC6A9 P48067 2/20 0.41
EPHX2 P34913 1/20 0.41
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.40
USP5 P45974 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL586941 0.96 NOTUM (0.45) NOTUMIDH2KDM4EGUSBUBE2M
SCHEMBL586920 0.91 MAPT (0.42) NOTUMKDM4EGUSBUBE2MDCUN1D1
SCHEMBL581709 0.90 RIPK1 (0.39) NOTUMKMT2AALDH1A1MEN1
SCHEMBL581796 0.89 ALDH1A1 (0.47) NOTUMIDH2KMT2AALDH1A1MEN1
SCHEMBL581795 0.89 ALDH1A1 (0.47) NOTUMIDH2KMT2AALDH1A1MEN1
SCHEMBL581556 0.88 NOTUM (0.53) NOTUMIDH2KDM4ESLC6A9KMT2A
SCHEMBL582132 0.86 NOTUM (0.47) NOTUMKDM4ESLC6A9EPHX2ALDH1A1
SCHEMBL581119 0.85 NOTUM (0.43) NOTUMIDH2
SCHEMBL580798 0.84 ALDH1A1 (0.49) GUSBKMT2AALDH1A1LMNAGAA
SCHEMBL3073129 0.84 ALDH1A1 (0.49) GUSBKMT2AALDH1A1LMNAGAA

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 6 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
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 2559/4885IDH2 829/4885KDM4E 2668/4885

“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.