SCHEMBL581263

SCHEMBL581263

COC(=O)N1CCC(C(=O)O)CC1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RIPK1 Q13546 3/20 0.39
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL586744 0.90 SLC6A2 (0.46) SLC6A2MEN1KMT2ARIPK1RAB9A
SCHEMBL582132 0.89 NOTUM (0.47) ALDH1A1KDM4ETDP1EPHX2
SCHEMBL581986 0.87 RIPK1 (0.43) SLC6A2MEN1KMT2ARIPK1RAB9A
SCHEMBL581709 0.86 RIPK1 (0.39) MEN1KMT2ARIPK1ALDH1A1
SCHEMBL582155 0.86 RIPK1 (0.47) SLC6A2MEN1KMT2ARIPK1RAB9A
SCHEMBL586674 0.85 NOTUM (0.44) ALDH1A1MAPTKDM4ETDP1
SCHEMBL581832 0.85 NOTUM (0.44) SLC6A2MAPTSMN1; SMN2
SCHEMBL581784 0.85 NOTUM (0.44) SLC6A2KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL581776 0.82 MEN1 (0.44) SLC6A2MEN1KMT2ARIPK1ALDH1A1
SCHEMBL3076421 0.82 MEN1 (0.44) SLC6A2MEN1KMT2ARIPK1ALDH1A1

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 SLC6A2 325/4885MEN1 3757/4885KMT2A 3820/4885

“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.