SCHEMBL4040576

SCHEMBL4040576

CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)C(CC(C)(C)C)NC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.60
CTSS P25774 3/20 0.44
CCR1 P32246 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
POLB P06746 1/20 0.34
CTSV O60911 2/20 0.33
CTSL P07711 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL4038905 0.94 CTSK (0.67) CTSKCTSSCCR1ACE2POLB
SCHEMBL4044575 0.92 CTSK (0.62) CTSKCTSSCCR1ACE2CTSL
SCHEMBL4044334 0.92 CTSK (0.71) CTSKCTSSCCR1ACE2POLB
SCHEMBL4045530 0.92 CTSK (0.64) CTSKCTSSCCR1ACE2CTSV
SCHEMBL4042666 0.91 CTSK (0.61) CTSKCTSSCCR1POLBCTSV
SCHEMBL4042807 0.91 CTSK (0.59) CTSKCTSSCCR1POLBCTSV
SCHEMBL4042133 0.91 CTSK (0.60) CTSKCTSSCCR1POLBCTSV
SCHEMBL4037952 0.91 CTSK (0.60) CTSKCTSSCCR1
SCHEMBL4038816 0.91 CTSK (0.62) CTSKCTSSCCR1ACE2CTSL
SCHEMBL4041035 0.90 CTSK (0.64) CTSKCTSSCCR1ACE2CTSV

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US 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 3/4885CCR1 100/4885

“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.