SCHEMBL11209394

SCHEMBL11209394

CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.58
CTSS P25774 2/20 0.55
CTSB P07858 2/20 0.55
CTSL P07711 1/20 0.55
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53

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
SCHEMBL27824395 1.00 CTSK (0.58) CTSKCTSSCTSBCTSLS1PR4
SCHEMBL18257521 0.92 CTSB (0.55) CTSKCTSB
SCHEMBL7119787 0.92 CTSK (0.56) CTSKCTSSCTSBCTSLS1PR4
SCHEMBL11682299 0.92 LTA4H (0.57) CTSKCTSB
SCHEMBL11683261 0.92 LTA4H (0.57) CTSKCTSB
SCHEMBL11680813 0.92 LTA4H (0.57) CTSKCTSB
SCHEMBL22475577 0.92 LTA4H (0.57) CTSKCTSB
SCHEMBL20881521 0.92 LTA4H (0.57) CTSKCTSB
SCHEMBL21244283 0.92 CTSB (0.55) CTSKCTSB
SCHEMBL16984879 0.92 CTSB (0.55) CTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102329376-B Cyclo(phenylalanine-N-methylleucyl-leucyl-N-methylleucyl-leucyl), and synthesis method and application thereof UNIV JINAN 2013-07-10 CN claimed
CN-102329376-A Cyclo(phenylalanine-N-methylleucyl-leucyl-N-methylleucyl-leucyl), and synthesis method and application thereof UNIV JINAN 2012-01-25 CN claimed
US-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-08-06 US disclosed
CN-102329376-B Cyclo(phenylalanine-N-methylleucyl-leucyl-N-methylleucyl-leucyl), and synthesis method and application thereof UNIV JINAN 2013-07-10 CN disclosed
CN-102329376-A Cyclo(phenylalanine-N-methylleucyl-leucyl-N-methylleucyl-leucyl), and synthesis method and application thereof UNIV JINAN 2012-01-25 CN disclosed
US-4382889-A Epoxysuccinic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 US disclosed
US-4333879-A CALCIUM-ACTIVATED NEUTRAL THIOLPROTEASE INHIBITOR USED IN THE TREATMENT OF MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1982-06-08 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-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMA1, PSMB1, PSMB11 CTSK 137/4885CTSS 1820/4885CTSB 517/4885

“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.