SCHEMBL4045746

SCHEMBL4045746

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-])c1ccc(-c2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.40
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
CTSK P43235 5/20 0.40
HPGDS O60760 1/20 0.37
CHRM4 P08173 2/20 0.37
CTSB P07858 1/20 0.35
DRD4 P21917 6/20 0.34
DRD2 P14416 5/20 0.34
HTR2A P28223 3/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
P2RX3 P56373 1/20 0.33
HTRA1 Q92743 1/20 0.32

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
SCHEMBL4041427 0.92 CTSK (0.49) CTSSCTSLCTSKHPGDSCTSB
SCHEMBL4045112 0.92 CTSK (0.40) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4041723 0.91 CTSK (0.41) CTSSCTSKHPGDSCHRM4CTSB
SCHEMBL4213674 0.90 CTSS (0.39) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4042915 0.90 CTSS (0.40) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4040036 0.87 CTSK (0.54) CTSSCTSVCTSLCTSKHTRA1
SCHEMBL4043294 0.86 CTSS (0.44) CTSSCTSVCTSLCTSKCHRM4
SCHEMBL4041846 0.85 CTSK (0.42) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4050314 0.83 CTSS (0.39) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4039133 0.82 CTSK (0.51) CTSSCTSVCTSLCTSK

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 CTSS 3/4885CTSV 29/4885CTSL 57/4885

“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.