SCHEMBL587054

SCHEMBL587054

CCOC(=O)CC(=O)C1CCN(C(=O)O)C(c2nnnn2C)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL586708 0.87 ALDH1A1 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL587170 0.87 SIGMAR1 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL587119 0.85 SIGMAR1 (0.45) ALDH1A1NPC1RAB9A
SCHEMBL587171 0.81 SIGMAR1 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL586922 0.73 ALDH1A1 (0.49) ALDH1A1NPC1RAB9A
SCHEMBL14698755 0.72 GAA (0.35) ALDH1A1NPC1RAB9AGAA
SCHEMBL5314099 0.70 RIPK1 (0.35) ALDH1A1NPC1GAA
SCHEMBL587189 0.70 MAPT (0.34) MAPK1ALDH1A1GAA
SCHEMBL586903 0.69 SMN1; SMN2 (0.51) NPC1RAB9A
SCHEMBL581826 0.69 RIPK1 (0.42) ALDH1A1NPC1RAB9AGAA

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 4 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
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 MAPK1 1966/4885ALDH1A1 2598/4885NPC1 497/4885

“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.