SCHEMBL4040525

SCHEMBL4040525

CC(C)CC(NC(=O)c1ccc(N)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.53
CTSS P25774 2/20 0.42
HSD17B10 Q99714 1/20 0.40
HCRTR2 O43614 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
POLB P06746 2/20 0.37
CCR1 P32246 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CTSL P07711 1/20 0.36
KMT2A Q03164 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
SCHEMBL4042094 0.94 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2POLB
SCHEMBL4041749 0.93 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2POLB
SCHEMBL4039791 0.92 CTSK (0.64) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4037456 0.91 CTSK (0.51) CTSKCTSSHSD17B10POLBKMT2A
SCHEMBL4042773 0.91 CTSK (0.55) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4052518 0.91 CTSK (0.51) CTSKCTSSHSD17B10HCRTR2POLB
SCHEMBL4043892 0.91 CTSK (0.51) CTSKCTSSHSD17B10HCRTR2SMYD3
SCHEMBL4037827 0.91 CTSK (0.65) CTSKCTSSHSD17B10HCRTR2POLB
SCHEMBL4039382 0.91 CTSK (0.53) CTSKCTSSPOLBCCR1PREP
SCHEMBL4039127 0.90 CTSK (0.61) CTSKCTSSCCR1CA2CA1

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 3/4885HSD17B10 1043/4885

“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.