SCHEMBL4047880

SCHEMBL4047880

CC(C)(C)c1ccc(C(=O)NC2(C(=O)N3CCC4C3C(=O)CN4C(=O)c3ccccn3)CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
AGTR1 P30556 1/20 0.38
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
TNF P01375 1/20 0.36
KLF5 Q13887 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
EPHX2 P34913 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
SCHEMBL4041513 0.88 CTSK (0.39) CTSKPLA2G1BATG4BCTSSCTSL
SCHEMBL4044060 0.87 PLA2G1B (0.40) CTSKPLA2G1BATG4BCTSSCTSL
SCHEMBL4040806 0.86 CTSK (0.38) CTSKCTSSCTSL
SCHEMBL4047319 0.84 CTSK (0.42) CTSKPLA2G1BATG4BCTSSCTSL
SCHEMBL4041121 0.82 ALDH1A1 (0.40) CTSKPLA2G1BATG4BCTSSCTSL
SCHEMBL6211281 0.82 CTSK (0.38) CTSKCTSSCTSLGAALMNA
SCHEMBL6238275 0.81 CTSL (0.40) CTSKCTSSCTSLGAALMNA
SCHEMBL4037636 0.80 CTSK (0.42) CTSKGAALMNARAB9AMEN1
SCHEMBL4041949 0.78 CTSL (0.41) CTSKPLA2G1BATG4BCTSSCTSL
SCHEMBL5941513 0.78 CTSK (0.79) CTSKPLA2G1BATG4BCTSSCTSL

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 2/4885PLA2G1B 2478/4885ATG4B 2228/4885

“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.