SCHEMBL2625191

SCHEMBL2625191

Cc1ccc2oc(C(=O)C(C)C)cc(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
THRB P10828 2/20 0.59
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL30643052 0.84 POLB (0.62) POLBTHRBMAPTHTTCSNK2A2
SCHEMBL379054 0.84 ALDH1A1 (0.67) POLBTHRBMAPTHTTCSNK2A2
SCHEMBL8265824 0.84 POLB (0.62) POLBTHRBMAPTHTTCSNK2A2
SCHEMBL5211481 0.83 POLB (0.60) POLBTHRBMAPTHTTCSNK2A2
SCHEMBL13015507 0.81 POLB (0.63) POLBTHRBMAPTHTTCSNK2A2
SCHEMBL23665730 0.81 TAS1R3 (0.58) MAPTMAOBKDM4EALDH1A1HPGD
SCHEMBL19755648 0.81 KDM4E (0.68) POLBMAPTHTTCSNK2A2CSNK2B
SCHEMBL18165460 0.80 POLB (0.61) POLBTHRBMAPTMAOBMEN1
SCHEMBL22617461 0.78 MAOB (0.76) POLBTHRBMAPTCSNK2A2CSNK2B
SCHEMBL29974659 0.76 THRB (0.53) POLBTHRBMAPTHTTCSNK2A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-7737112-B2 Composition for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-06-15 US disclosed
US-7737112-B2 Composition for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-06-15 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 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 (3 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-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 POLB 1161/4885THRB 3055/4885MAPT 4108/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 POLB 1254/4885THRB 2496/4885MAPT 3999/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 POLB 1254/4885THRB 2496/4885MAPT 3999/4885

“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.