SCHEMBL4039138

SCHEMBL4039138

COC(CC(C)C)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.56
CTSS P25774 2/20 0.43
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGA2 P17301 1/20 0.38
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL4040689 0.95 CTSK (0.54) CTSKCTSSITGB3ITGA2BITGA2
SCHEMBL4040055 0.94 CTSK (0.53) CTSKCTSSITGB3ITGA2BITGA2
SCHEMBL4041784 0.94 CTSK (0.59) CTSKCTSSCTSLSMYD3CCR1
SCHEMBL4042438 0.93 CTSK (0.56) CTSKCTSSITGB3ITGA2BITGA2
SCHEMBL4042605 0.91 CTSK (0.55) CTSKCTSSITGB3ITGA2BITGA2
SCHEMBL4043382 0.91 CTSK (0.65) CTSKCTSSCTSL
SCHEMBL4038695 0.91 CTSK (0.57) CTSKCTSSCTSL
SCHEMBL4038247 0.90 CTSK (0.59) CTSKCTSSITGB3ITGA2BITGA2
SCHEMBL4041760 0.90 CTSK (0.58) CTSKCTSSCDK4CCNA2CCND1
SCHEMBL4040078 0.90 CTSK (0.58) CTSKCTSSITGB3ITGA2BITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-2016064-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP claimed
WO-2007131153-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-2016064-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP disclosed
WO-2007131153-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885ITGB3 1272/4885

“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.