SCHEMBL4041636

SCHEMBL4041636

CC(C)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.47
CTSS P25774 4/20 0.42
HPGDS O60760 2/20 0.40
CTSB P07858 1/20 0.39
ACKR3 P25106 2/20 0.36
CHRNA7 P36544 5/20 0.34
HTR3E A5X5Y0 4/20 0.34
HTR3B O95264 4/20 0.34
HTR3A P46098 4/20 0.34
HTR3D Q70Z44 4/20 0.34
HTR3C Q8WXA8 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4046318 0.94 CTSK (0.47) CTSKCTSSHPGDSCTSBACKR3
SCHEMBL4048075 0.93 CTSK (0.51) CTSKCTSSHPGDSCTSBACKR3
SCHEMBL6242529 0.92 CTSK (0.43) CTSKCTSSHPGDSCTSBACKR3
SCHEMBL4046272 0.89 CTSK (0.46) CTSKCTSSHPGDSCTSBACKR3
SCHEMBL4045086 0.89 CTSK (0.42) CTSKCTSSCTSBMEN1KMT2A
SCHEMBL4046827 0.88 CTSK (0.48) CTSKCTSSHPGDSCTSBACKR3
SCHEMBL4045201 0.88 CTSK (0.46) CTSKCTSSHPGDSCTSBACKR3
SCHEMBL4039365 0.87 CTSK (0.59) CTSKCTSSHPGDSCTSBCHRNA7
SCHEMBL4042035 0.85 CTSK (0.47) CTSKCTSSHPGDSCTSB
SCHEMBL4040890 0.84 CTSK (0.49) CTSKCTSSHPGDSCTSBMEN1

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 2/4885CTSS 3/4885HPGDS 603/4885

“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.