SCHEMBL4039089

SCHEMBL4039089

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.39
USP30 Q70CQ3 2/20 0.39
HPGDS O60760 1/20 0.38
CTSS P25774 3/20 0.34
CTSB P07858 1/20 0.34
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
HTR2A P28223 1/20 0.34
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
CHRM4 P08173 1/20 0.33
TACR3 P29371 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
SCHEMBL4038477 0.92 CTSS (0.40) CTSKUSP30HPGDSCTSSCTSB
SCHEMBL4040600 0.92 CTSK (0.49) CTSKHPGDSCTSSCTSBCTSL
SCHEMBL4042679 0.91 CTSK (0.40) CTSKHPGDSCTSSCTSBDRD2
SCHEMBL4041322 0.91 CTSK (0.51) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4042823 0.90 CTSK (0.40) CTSKUSP30CTSSCTSBCTSV
SCHEMBL4040158 0.90 CTSK (0.41) CTSKHPGDSCTSSCTSBCTSV
SCHEMBL4043220 0.88 CTSK (0.48) CTSKUSP30HPGDSCTSSDRD2
SCHEMBL4040459 0.88 CTSK (0.39) CTSKUSP30HPGDSCTSSCTSB
SCHEMBL4041118 0.88 CTSK (0.39) CTSKHPGDSCTSSCTSBDRD2
SCHEMBL4040456 0.84 CTSK (0.39) CTSKHPGDSCTSSCTSBDRD2

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 6 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

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 2/4885USP30 2688/4885HPGDS 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.