SCHEMBL582040

SCHEMBL582040

COC(=O)C1CCN(C(=O)OC)C(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RIPK1 Q13546 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC6A3 Q01959 4/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL582155 0.90 RIPK1 (0.47) ALDH1A1RIPK1MEN1KMT2ANPC1
SCHEMBL26984184 0.89 NR1H2 (0.47) ALDH1A1RIPK1MAPTNPSR1NPC1
SCHEMBL27128033 0.89 NR1H2 (0.47) ALDH1A1RIPK1MAPTNPSR1NPC1
SCHEMBL587444 0.87 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2SLC6A3SLC6A2
SCHEMBL587352 0.87 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL587349 0.85 MMP1 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL587433 0.85 SMN1; SMN2 (0.44) MAPTSMN1; SMN2SLC6A3SLC6A2SLC6A4
SCHEMBL586744 0.85 SLC6A2 (0.46) ALDH1A1RIPK1MAPTNPSR1MEN1
SCHEMBL586843 0.84 SLC6A4 (0.47) ALDH1A1RIPK1MAPTNPSR1HPGD
SCHEMBL586946 0.84 TDP1 (0.45) ALDH1A1MAPTGAA

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 ALDH1A1 2598/4885RIPK1 4457/4885MAPT 4513/4885

“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.