SCHEMBL4042537

SCHEMBL4042537

CC(C)(C)c1ccc(C(=O)NC(Cc2cccc(O)c2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSL P07711 3/20 0.40
F10 P00742 3/20 0.40
F2 P00734 3/20 0.40
ST14 Q9Y5Y6 3/20 0.40
PLG P00747 2/20 0.40
PLAU P00749 2/20 0.40
CTSS P25774 2/20 0.39
ACE P12821 2/20 0.37
USP30 Q70CQ3 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CTSV O60911 1/20 0.35
CTSB P07858 1/20 0.35
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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) CTSKF2CTSSACEUSP30
SCHEMBL4041541 0.91 CTSK (0.49) CTSKCTSLF10F2CTSS
SCHEMBL4044651 0.91 CTSK (0.50) CTSKCTSLF10F2ST14
SCHEMBL4040969 0.89 CTSK (0.51) CTSKF2CTSSACEUSP30
SCHEMBL4040497 0.88 CTSK (0.50) CTSKCTSLF10F2ST14
SCHEMBL4039791 0.88 CTSK (0.64) CTSKCTSLCTSSLMNAMAPT
SCHEMBL4037679 0.88 CTSK (0.49) CTSKF2CTSSUSP30LMNA
SCHEMBL4040210 0.87 CTSK (0.53) CTSKCTSLCTSSLMNAMAPT
SCHEMBL4040008 0.87 CTSK (0.53) CTSKCTSLCTSSLMNAMAPT
SCHEMBL4038592 0.87 CTSK (0.52) CTSKCTSLCTSSCTSVCTSB

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 2/4885CTSL 57/4885F10 1200/4885

“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.