SCHEMBL4039481

SCHEMBL4039481

CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.56
GFER P55789 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CTSS P25774 2/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CTSL P07711 1/20 0.37
KMT2A Q03164 1/20 0.36
HCRTR2 O43614 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 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
SCHEMBL4037827 0.93 CTSK (0.65) CTSKGFERGAATSHRSMN1; SMN2
SCHEMBL4041749 0.91 CTSK (0.53) CTSKHSD17B10CTSSPOLBCTSL
SCHEMBL4042002 0.91 CTSK (0.56) CTSKCTSSCA12CA1CA9
SCHEMBL4040962 0.91 CTSK (0.64) CTSKCTSSCTSLCA12CA1
SCHEMBL4040525 0.90 CTSK (0.53) CTSKHSD17B10CTSSPOLBCTSL
SCHEMBL4042094 0.90 CTSK (0.53) CTSKHSD17B10CTSSPOLBCTSL
SCHEMBL4039791 0.90 CTSK (0.64) CTSKHSD17B10CTSSMAPTALDH1A1
SCHEMBL4052518 0.89 CTSK (0.51) CTSKHSD17B10CTSSPOLBCTSL
SCHEMBL4042773 0.89 CTSK (0.55) CTSKHSD17B10CTSSCTSLHCRTR2
SCHEMBL4043892 0.89 CTSK (0.51) CTSKHSD17B10CTSSCTSLHCRTR2

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 2/4885GFER 803/4885GAA 1120/4885

“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.