SCHEMBL582155

SCHEMBL582155

COC(=O)N1CCC(C(=O)O)CC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.47
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
HCRTR2 O43614 2/20 0.40
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADAM10 O14672 1/20 0.40
MMP2 P08253 1/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL582040 0.90 ALDH1A1 (0.48) RIPK1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL581832 0.88 NOTUM (0.44) AKR1C3SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL581784 0.88 NOTUM (0.44) SLC6A2SLC6A4SLC6A3KMT2ASMN1; SMN2
SCHEMBL586556 0.87 RIPK1 (0.40) RIPK1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL581263 0.86 SLC6A2 (0.41) RIPK1SLC6A2KMT2ANPC1RAB9A
SCHEMBL24366348 0.85 RIPK1 (0.50) RIPK1AKR1C3AKR1C1
SCHEMBL15267083 0.85 RIPK1 (0.50) RIPK1AKR1C3AKR1C1
SCHEMBL580914 0.85 SLC6A4 (0.42) RIPK1SLC6A4SMN1; SMN2HCRTR2ALDH1A1
SCHEMBL582132 0.85 NOTUM (0.47) NOTUMALDH1A1KDM4E
SCHEMBL581709 0.84 RIPK1 (0.39) RIPK1AKR1C3AKR1C1KMT2AMEN1

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 RIPK1 4457/4885AKR1C3 136/4885AKR1C1 299/4885

“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.