SCHEMBL4044295

SCHEMBL4044295

CCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.66
CTSS P25774 5/20 0.49
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
PREP P48147 2/20 0.42
FAP Q12884 2/20 0.42
CTSL P07711 4/20 0.40
CCR1 P32246 2/20 0.39
AGTR1 P30556 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSV O60911 2/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 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
SCHEMBL4045453 0.93 CTSK (0.56) CTSKCTSSPLA2G1BATG4BPREP
SCHEMBL4053535 0.93 CTSK (0.59) CTSKCTSSPREPFAPCTSL
SCHEMBL4037909 0.92 CTSK (0.55) CTSKCTSSPREPFAPCTSL
SCHEMBL4038823 0.91 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL5941513 0.91 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4216270 0.91 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4216273 0.91 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4043653 0.91 CTSK (0.66) CTSKCTSSPLA2G1BATG4BPREP
SCHEMBL4041248 0.91 CTSK (0.55) CTSKCTSSPREPFAPCTSL
SCHEMBL4041590 0.90 CTSK (0.66) CTSKCTSSPLA2G1BATG4BPREP

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 6 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-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 2/4885CTSS 3/4885PLA2G1B 2478/4885

“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.