SCHEMBL581822

SCHEMBL581822

CC(C)CC1CC(=O)CC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
GLA P06280 1/20 0.34
KLK7 P49862 5/20 0.33
KLK5 Q9Y337 4/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MME P08473 1/20 0.33
NR1H2 P55055 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLA2G10 O15496 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
SCHEMBL3398097 0.88 CHRM2 (0.37) CHRM2CHRM1CHRM3GLAKLK7
SCHEMBL31080065 0.84 GLA (0.38) CHRM2CHRM1CHRM3GLAKLK7
SCHEMBL581498 0.81 MME (0.39) MMEMAPTALDH1A1
SCHEMBL20734867 0.79 KLK7 (0.36) CHRM2CHRM1CHRM3GLAKLK7
SCHEMBL20734866 0.79 KLK7 (0.36) CHRM2CHRM1CHRM3GLAKLK7
SCHEMBL31080746 0.78 CHRM2 (0.36) CHRM2CHRM1CHRM3GLAKLK7
SCHEMBL30694034 0.76 GLA (0.34) CHRM2CHRM1CHRM3GLADDB1
SCHEMBL3206265 0.76 KLK7 (0.50) KLK7KLK5NR1H2PLA2G10PLA2G5
SCHEMBL4501441 0.76 GLA (0.34) CHRM2CHRM1CHRM3GLADDB1
SCHEMBL23902600 0.76 CHRM2 (0.39) CHRM2CHRM1CHRM3GLAKLK7

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
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
WO-2007068728-A2 N-SUBSTITUTED PYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-06-21 WO disclosed
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 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 (2 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-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors CDK2, MAP3K19, MAP3K7 CHRM2 1870/4885CHRM1 1291/4885CHRM3 2431/4885
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 CHRM2 632/4885CHRM1 291/4885CHRM3 310/4885

“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.