SCHEMBL4039756

SCHEMBL4039756

CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.84
CTSS P25774 4/20 0.58
CCR1 P32246 2/20 0.45
CNR2 P34972 1/20 0.42
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
MAPT P10636 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38

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
SCHEMBL4040520 0.92 CTSK (0.71) CTSKCTSSCCR1
SCHEMBL4041217 0.92 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4219738 0.92 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5941346 0.92 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4219737 0.92 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5942080 0.91 CTSK (0.88) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5942073 0.91 CTSK (0.88) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4046004 0.91 CTSK (0.70) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4039539 0.90 CTSK (0.69) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4039569 0.90 CTSK (0.69) CTSKCTSSCCR1CNR2CTSV

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 7 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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
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 3/4885CCR1 100/4885

“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.