SCHEMBL4041797

SCHEMBL4041797

COc1ccc(CC(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
USP30 Q70CQ3 3/20 0.45
CTSS P25774 1/20 0.39
F2 P00734 4/20 0.38
CXCR3 P49682 1/20 0.38
MC4R P32245 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
CA2 P00918 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ACE P12821 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 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
SCHEMBL4044111 0.93 CTSK (0.52) CTSKUSP30CTSSF2MC4R
SCHEMBL4042328 0.92 CTSK (0.51) CTSKUSP30CTSSF2MC4R
SCHEMBL4037679 0.91 CTSK (0.49) CTSKUSP30CTSSF2CXCR3
SCHEMBL4044253 0.89 CTSK (0.48) CTSKUSP30CTSSF2CXCR3
SCHEMBL4040176 0.89 CTSK (0.52) CTSKUSP30CTSSCXCR3CHRNB2
SCHEMBL4041463 0.88 CTSK (0.43) CTSKUSP30CXCR3CHRNB2CHRNA7
SCHEMBL4040987 0.88 CTSK (0.65) CTSKCTSSRAB9A
SCHEMBL4044651 0.88 CTSK (0.50) CTSKCTSSF2MC4RMC3R
SCHEMBL4041845 0.88 CTSK (0.50) CTSKUSP30CTSSMC4RMC3R
SCHEMBL4040234 0.88 CTSK (0.54) CTSKCTSSMC4RMC3RMC1R

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 2/4885USP30 2688/4885CTSS 3/4885

“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.