SCHEMBL4037128

SCHEMBL4037128

CC(C)CC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.54
CTSS P25774 1/20 0.42
MMP13 P45452 1/20 0.40
HSD17B10 Q99714 1/20 0.38
CCR1 P32246 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 1/20 0.38
ADAM17 P78536 1/20 0.38
ELOVL6 Q9H5J4 1/20 0.38
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
ACE P12821 1/20 0.37
SCN9A Q15858 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL4037456 0.93 CTSK (0.51) CTSKCTSSMMP13HSD17B10MMP1
SCHEMBL4040503 0.92 CTSK (0.44) CTSKCTSSMMP13HSD17B10CCR1
SCHEMBL4043735 0.91 CTSS (0.44) CTSKCTSSMMP13HSD17B10MMP1
SCHEMBL4042964 0.91 CTSK (0.49) CTSKCTSSHSD17B10ELOVL6HCRTR2
SCHEMBL4041749 0.90 CTSK (0.53) CTSKCTSSHSD17B10CCR1HCRTR2
SCHEMBL4039854 0.90 CTSK (0.51) CTSKCTSSHSD17B10ELOVL6HCRTR2
SCHEMBL4039490 0.90 CTSK (0.54) CTSKCTSSMMP13CCR1MMP1
SCHEMBL4042094 0.90 CTSK (0.53) CTSKCTSSHSD17B10CCR1HCRTR2
SCHEMBL4040525 0.90 CTSK (0.53) CTSKCTSSHSD17B10CCR1HCRTR2
SCHEMBL4043635 0.89 CTSK (0.52) CTSKCTSSACESCN9ACTSL

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 3/4885MMP13 72/4885

“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.