SCHEMBL4046004

SCHEMBL4046004

CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)c2cccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.70
CTSS P25774 3/20 0.48
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GFER P55789 2/20 0.42
PREP P48147 2/20 0.40
FAP Q12884 1/20 0.40
CCR1 P32246 1/20 0.38
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 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 0.92 CTSK (0.82) CTSKCTSSALDH1A1POLBPREP
SCHEMBL4219217 0.92 CTSK (0.82) CTSKCTSSALDH1A1POLBPREP
SCHEMBL4041422 0.92 CTSK (0.82) CTSKCTSSALDH1A1POLBPREP
SCHEMBL5941872 0.92 CTSK (0.82) CTSKCTSSALDH1A1POLBPREP
SCHEMBL4040520 0.91 CTSK (0.71) CTSKCTSSPOLBPREPFAP
SCHEMBL4039756 0.91 CTSK (0.84) CTSKCTSSMAPTCCR1CTSV
SCHEMBL4043042 0.89 CTSK (0.68) CTSKCTSSALDH1A1POLBPREP
SCHEMBL4041237 0.88 CTSK (0.82) CTSKCTSSMAPTALDH1A1PREP
SCHEMBL5941468 0.88 CTSK (0.82) CTSKCTSSMAPTALDH1A1PREP
SCHEMBL4215663 0.88 CTSK (0.82) CTSKCTSSMAPTALDH1A1PREP

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 3/4885MAPT 3367/4885

“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.