SCHEMBL4044253

SCHEMBL4044253

COc1ccc(CC(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
USP30 Q70CQ3 2/20 0.42
CXCR3 P49682 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
GPR132 Q9UNW8 1/20 0.40
F2 P00734 3/20 0.39
GAA P10253 1/20 0.38
ACE P12821 2/20 0.38
CTSS P25774 1/20 0.38
PLG P00747 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 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
SCHEMBL4039023 0.93 CTSK (0.50) CTSKUSP30CHRNB2CHRNA4GPR132
SCHEMBL3951683 0.92 CTSK (0.49) CTSKUSP30CHRNB2CHRNA7CHRNA4
SCHEMBL4037679 0.91 CTSK (0.49) CTSKUSP30CXCR3CHRNB2CHRNA7
SCHEMBL4042580 0.90 CTSK (0.49) CTSKCXCR3CHRNB2CHRNA7CHRNA4
SCHEMBL4041797 0.89 CTSK (0.50) CTSKUSP30CXCR3CHRNB2CHRNA7
SCHEMBL4042695 0.89 CHRNB2 (0.41) CTSKCXCR3CHRNB2CHRNA7CHRNA4
SCHEMBL4040613 0.89 CTSK (0.61) CTSKGAAACECTSSALDH1A1
SCHEMBL4041541 0.89 CTSK (0.49) CTSKUSP30GPR132F2GAA
SCHEMBL4045831 0.88 CTSK (0.51) CTSKGPR132GAAACECTSS
SCHEMBL4040540 0.88 CTSK (0.51) CTSKGPR132GAAACECTSS

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 2688/4885CXCR3 433/4885

“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.