SCHEMBL2633261

SCHEMBL2633261

O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
ALDH1A1 P00352 1/20 0.56
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
PSMB5 P28074 1/20 0.51
KMT2A Q03164 2/20 0.50
MME P08473 1/20 0.50
ATM Q13315 1/20 0.50
CAPN1 P07384 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL31390220 0.90 LMNA (0.82) LMNATDP1ALDH1A1PSMB5KMT2A
SCHEMBL9716658 0.90 LMNA (0.82) LMNATDP1ALDH1A1PSMB5KMT2A
SCHEMBL9716661 0.90 LMNA (0.82) LMNATDP1ALDH1A1PSMB5KMT2A
SCHEMBL2735629 0.89 LMNA (0.61) LMNATDP1PSMB5MME
SCHEMBL29958699 0.87 CAPN1 (0.55) LMNATDP1ITGB3ITGA2BMME
SCHEMBL9234559 0.87 LMNA (0.73) LMNATDP1ALDH1A1PSMB5KMT2A
SCHEMBL5612699 0.87 LMNA (0.73) LMNATDP1ALDH1A1PSMB5KMT2A
SCHEMBL10665563 0.87 LMNA (0.73) LMNATDP1ALDH1A1PSMB5KMT2A
SCHEMBL13033926 0.87 LMNA (0.56) LMNATDP1ALDH1A1ATMPOLB
SCHEMBL7365216 0.86 LMNA (0.55) LMNATDP1ALDH1A1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101025-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-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 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
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 WO 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 LMNA 2603/4885TDP1 1361/4885ALDH1A1 3376/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 LMNA 3012/4885TDP1 1175/4885ALDH1A1 3059/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 LMNA 3012/4885TDP1 1175/4885ALDH1A1 3059/4885

“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.