SCHEMBL4043711

SCHEMBL4043711

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.43
CTSL P07711 6/20 0.43
CTSV O60911 2/20 0.43
CTSK P43235 9/20 0.43
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35
USP30 Q70CQ3 1/20 0.35
MMP13 P45452 1/20 0.34
CHRM4 P08173 1/20 0.34
HTRA1 Q92743 2/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SLC5A7 Q9GZV3 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
SCHEMBL4040733 0.91 CTSK (0.53) CTSSCTSLCTSKMMP2MMP9
SCHEMBL4040693 0.91 CTSK (0.44) CTSSCTSLCTSVCTSKMMP2
SCHEMBL4040427 0.89 CTSK (0.54) CTSSCTSLCTSVCTSKUSP30
SCHEMBL4044593 0.89 CTSS (0.45) CTSSCTSLCTSVCTSK
SCHEMBL4042823 0.88 CTSK (0.40) CTSSCTSLCTSVCTSKMMP2
SCHEMBL4043868 0.88 CTSS (0.45) CTSSCTSLCTSVCTSKMMP2
SCHEMBL4049935 0.88 CTSK (0.53) CTSSCTSLCTSVCTSKMMP2
SCHEMBL4041707 0.87 CTSS (0.43) CTSSCTSLCTSVCTSKMMP2
SCHEMBL4038477 0.86 CTSS (0.40) CTSSCTSLCTSVCTSKUSP30
SCHEMBL4038930 0.85 CTSK (0.52) CTSSCTSLCTSVCTSKHTRA1

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 CTSS 3/4885CTSL 57/4885CTSV 29/4885

“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.