SCHEMBL4037679

SCHEMBL4037679

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
USP30 Q70CQ3 3/20 0.45
F2 P00734 5/20 0.40
CXCR3 P49682 1/20 0.40
CA2 P00918 1/20 0.40
KCNQ1 P51787 1/20 0.40
LMNA P02545 1/20 0.39
CTSS P25774 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
GPR132 Q9UNW8 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
SCHEMBL4037663 0.92 CTSK (0.51) CTSKUSP30F2CA2LMNA
SCHEMBL4040969 0.92 CTSK (0.51) CTSKUSP30F2CA2LMNA
SCHEMBL4041797 0.91 CTSK (0.50) CTSKUSP30F2CXCR3CA2
SCHEMBL4044253 0.91 CTSK (0.48) CTSKUSP30F2CXCR3CA2
SCHEMBL4037456 0.89 CTSK (0.51) CTSKCXCR3KCNQ1LMNACTSS
SCHEMBL4048167 0.88 CTSK (0.50) CTSKUSP30F2CA2CTSS
SCHEMBL4042400 0.88 LMNA (0.43) CTSKCXCR3KCNQ1LMNACHRNB4
SCHEMBL4039791 0.88 CTSK (0.64) CTSKLMNACTSS
SCHEMBL4042537 0.88 CTSK (0.49) CTSKUSP30F2LMNACTSS
SCHEMBL4044739 0.88 CTSK (0.52) CTSKUSP30CA2CTSS

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 2688/4885F2 2041/4885

“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.