SCHEMBL4042580

SCHEMBL4042580

COc1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
CXCR3 P49682 1/20 0.41
GAA P10253 1/20 0.41
SLC18A3 Q16572 1/20 0.39
CTSS P25774 1/20 0.38
PTAFR P25105 1/20 0.38
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 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
SCHEMBL4043635 0.93 CTSK (0.52) CTSKCTSS
SCHEMBL4037353 0.92 CTSK (0.48) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4042695 0.92 CHRNB2 (0.41) CTSKCHRNB2CHRNA7CHRNA4CXCR3
SCHEMBL4041490 0.92 CTSK (0.51) CTSKCTSSLMNA
SCHEMBL4043304 0.92 CTSK (0.49) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4037649 0.91 CTSK (0.51) CTSKCTSSLMNA
SCHEMBL4040613 0.91 CTSK (0.61) CTSKGAACTSSLMNA
SCHEMBL4037395 0.90 CTSK (0.62) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL3958840 0.90 CTSK (0.53) CTSKCTSS
SCHEMBL4044253 0.90 CTSK (0.48) CTSKCHRNB2CHRNA7CHRNA4CXCR3

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 8 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-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
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 2/4885CHRNB2 3423/4885CHRNA7 1466/4885

“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.