SCHEMBL4043220

SCHEMBL4043220

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.48
HPGDS O60760 1/20 0.41
CTSS P25774 5/20 0.38
CTSL P07711 4/20 0.38
USP30 Q70CQ3 1/20 0.37
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
CTSV O60911 2/20 0.36
HTR2A P28223 1/20 0.36
TACR3 P29371 1/20 0.36
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
CHRM4 P08173 1/20 0.35

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
SCHEMBL4043434 0.91 CTSK (0.48) CTSKHPGDSCTSSCTSLDRD2
SCHEMBL4042374 0.91 CTSK (0.59) CTSKHPGDSCTSSCTSL
SCHEMBL4039075 0.91 CTSK (0.49) CTSKHPGDSCTSSCTSLDRD2
SCHEMBL4042226 0.90 CTSK (0.61) CTSKCTSSCTSLUSP30CTSV
SCHEMBL4042748 0.89 CTSK (0.49) CTSKCTSSCTSLUSP30CTSV
SCHEMBL4039089 0.88 CTSK (0.39) CTSKHPGDSCTSSCTSLUSP30
SCHEMBL4040158 0.86 CTSK (0.41) CTSKHPGDSCTSSCTSLCTSV
SCHEMBL4040459 0.84 CTSK (0.39) CTSKHPGDSCTSSCTSLUSP30
SCHEMBL4041957 0.82 CTSK (0.42) CTSKHPGDSCTSSCTSLDRD2
SCHEMBL4042769 0.81 DPP4 (0.42) CTSKCTSSCTSLDPP4

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-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 2/4885HPGDS 603/4885CTSS 3/4885

“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.