SCHEMBL4041422

SCHEMBL4041422

CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.82
CTSS P25774 3/20 0.49
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
PREP P48147 2/20 0.41
FAP Q12884 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.39
CCR1 P32246 1/20 0.39
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4219223 1.00 CTSK (0.82) CTSKCTSSCHRNB2CHRNA7CHRNA4
SCHEMBL5941872 1.00 CTSK (0.82) CTSKCTSSCHRNB2CHRNA7CHRNA4
SCHEMBL4219217 1.00 CTSK (0.82) CTSKCTSSCHRNB2CHRNA7CHRNA4
SCHEMBL4046004 0.92 CTSK (0.70) CTSKCTSSPREPFAPALDH1A1
SCHEMBL4043042 0.91 CTSK (0.68) CTSKCTSSPREPFAPALDH1A1
SCHEMBL4040658 0.90 CTSK (0.84) CTSKCTSSPREPFAPALDH1A1
SCHEMBL4215352 0.90 CTSK (0.84) CTSKCTSSPREPFAPALDH1A1
SCHEMBL4215349 0.90 CTSK (0.84) CTSKCTSSPREPFAPALDH1A1
SCHEMBL8347125 0.90 CTSK (0.84) CTSKCTSSPREPFAPALDH1A1
SCHEMBL4219737 0.90 CTSK (1.00) CTSKCTSSALDH1A1CCR1CTSV

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-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

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 3/4885CHRNB2 3423/4885

“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.