SCHEMBL4041889

SCHEMBL4041889

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.40
CTSL P07711 4/20 0.40
CTSV O60911 2/20 0.40
CTSK P43235 5/20 0.39
HPGDS O60760 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 1/20 0.36
CHRM4 P08173 1/20 0.35
CTSB P07858 1/20 0.34
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
HTR2A P28223 1/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
HTRA1 Q92743 1/20 0.33
TACR3 P29371 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 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
SCHEMBL4045122 0.92 CTSK (0.49) CTSSCTSLCTSKHPGDSCTSB
SCHEMBL4040459 0.92 CTSK (0.39) CTSSCTSLCTSVCTSKHPGDS
SCHEMBL4039160 0.91 CTSK (0.40) CTSSCTSKHPGDSHDAC1HDAC2
SCHEMBL4041846 0.90 CTSK (0.42) CTSSCTSLCTSVCTSKHPGDS
SCHEMBL4038477 0.88 CTSS (0.40) CTSSCTSLCTSVCTSKHPGDS
SCHEMBL4043646 0.87 CTSS (0.38) CTSSCTSLCTSVCTSKHPGDS
SCHEMBL4040241 0.87 CTSK (0.54) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4041707 0.86 CTSS (0.43) CTSSCTSLCTSVCTSKCHRM4
SCHEMBL4213674 0.85 CTSS (0.39) CTSSCTSLCTSVCTSKHPGDS
SCHEMBL4043434 0.84 CTSK (0.48) CTSSCTSLCTSVCTSKHPGDS

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 4 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

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 3/4885CTSL 57/4885CTSV 29/4885

“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.