SCHEMBL580926

SCHEMBL580926

CC(C)CC1CC(=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP3 P08254 1/20 0.35
ADAM17 P78536 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
GHSR Q92847 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3941124 0.84 ATM (0.43) ATMPARP1ALDH1A1L3MBTL1DDB1
SCHEMBL21360450 0.84 ATM (0.43) ATMPARP1ALDH1A1L3MBTL1DDB1
SCHEMBL19390116 0.84 ATM (0.41) ATMPARP1ALDH1A1DDB1CRBN
SCHEMBL29065904 0.83 ATM (0.40) ATMPARP1ALDH1A1MAPTDDB1
SCHEMBL19097297 0.82 ATM (0.52) ATMPARP1ALDH1A1L3MBTL1DDB1
SCHEMBL16040525 0.81 PARP1 (0.38) ATMPARP1ALDH1A1NPC1MAPT
SCHEMBL16040523 0.81 PARP1 (0.38) ATMPARP1ALDH1A1NPC1MAPT
SCHEMBL8263573 0.80 ATM (0.38) ATMPARP1ALDH1A1DDB1CRBN
SCHEMBL9965481 0.80 ATM (0.45) ATMPARP1ALDH1A1L3MBTL1DDB1
SCHEMBL642245 0.80 ATM (0.45) ATMPARP1ALDH1A1L3MBTL1DDB1

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 ATM 4354/4885PARP1 3832/4885ALDH1A1 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.