SCHEMBL581709

SCHEMBL581709

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.39
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GRM5 P41594 1/20 0.36
MGLL Q99685 4/20 0.35
CFTR P13569 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL587031 0.91 RIPK1 (0.36) RIPK1ALDH1A1GRM5MGLLMEN1
SCHEMBL580827 0.90 NOTUM (0.48) NOTUMALDH1A1MEN1KMT2A
SCHEMBL587487 0.89 ALDH1A1 (0.38) RIPK1ALDH1A1GRM5MEN1KMT2A
SCHEMBL581689 0.89 RIPK1 (0.42) RIPK1NOTUMMGLLAKR1C3AKR1C1
SCHEMBL586941 0.86 NOTUM (0.45) NOTUMALDH1A1MEN1KMT2A
SCHEMBL581263 0.86 SLC6A2 (0.41) RIPK1ALDH1A1MEN1KMT2A
SCHEMBL582155 0.84 RIPK1 (0.47) RIPK1NOTUMALDH1A1AKR1C3AKR1C1
SCHEMBL581242 0.84 ALDH1A1 (0.40) RIPK1ALDH1A1GRM5MEN1KMT2A
SCHEMBL586920 0.81 MAPT (0.42) NOTUMALDH1A1MEN1KMT2A
SCHEMBL581796 0.80 ALDH1A1 (0.47) NOTUMALDH1A1MEN1KMT2A

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 4457/4885NOTUM 2559/4885ALDH1A1 2598/4885

“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.