SCHEMBL4042748

SCHEMBL4042748

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.49
CTSS P25774 5/20 0.38
CTSL P07711 4/20 0.38
CTSV O60911 2/20 0.37
USP30 Q70CQ3 1/20 0.36
MAPK14 Q16539 1/20 0.36
CHRM4 P08173 1/20 0.34
ADAM17 P78536 1/20 0.34
SLC6A7 Q99884 1/20 0.34
ACE P12821 2/20 0.34
UGCG Q16739 1/20 0.34

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
SCHEMBL4043220 0.89 CTSK (0.48) CTSKCTSSCTSLCTSVUSP30
SCHEMBL4042226 0.89 CTSK (0.61) CTSKCTSSCTSLCTSVUSP30
SCHEMBL4042823 0.88 CTSK (0.40) CTSKCTSSCTSLCTSVUSP30
SCHEMBL4037084 0.88 CTSK (0.65) CTSKCTSSCTSLCTSV
SCHEMBL4049935 0.88 CTSK (0.53) CTSKCTSSCTSLCTSVMAPK14
SCHEMBL4040279 0.87 CTSK (0.54) CTSKCTSSCTSLCTSVMAPK14
SCHEMBL4041519 0.86 CTSK (0.42) CTSKCTSSCTSLCTSV
SCHEMBL4040938 0.84 CTSK (0.40) CTSKCTSSCTSLCTSVUSP30
SCHEMBL4042863 0.83 CTSK (0.44) CTSKCTSSCTSLCTSVCHRM4
SCHEMBL4042769 0.81 DPP4 (0.42) CTSKCTSSCTSLADAM17

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 2/4885CTSS 3/4885CTSL 57/4885

“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.