SCHEMBL4041118

SCHEMBL4041118

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.39
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
HPGDS O60760 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CTSS P25774 4/20 0.34
CTSB P07858 1/20 0.34
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
ACE P12821 2/20 0.34
PREP P48147 2/20 0.34
DPP4 P27487 1/20 0.34
MAPK1 P28482 2/20 0.33
FAP Q12884 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL4045015 0.92 CTSK (0.49) CTSKHDAC3HDAC1HDAC2CTSS
SCHEMBL4041482 0.92 CTSS (0.40) CTSKHPGDSHDAC3HDAC1HDAC2
SCHEMBL4039054 0.91 CTSK (0.40) CTSKHPGDSHDAC3HDAC1HDAC2
SCHEMBL4043933 0.91 CTSK (0.51) CTSKMC4RMC5RMC3RCTSS
SCHEMBL4040456 0.90 CTSK (0.39) CTSKMC4RMC5RMC3RHPGDS
SCHEMBL4044330 0.89 CTSK (0.41) CTSKMC4RMC5RMC3RCTSS
SCHEMBL4041209 0.89 HPGDS (0.39) CTSKMC4RMC5RMC3RHPGDS
SCHEMBL4039089 0.88 CTSK (0.39) CTSKHPGDSCTSSCTSBCTSV
SCHEMBL4040158 0.84 CTSK (0.41) CTSKHPGDSCTSSCTSBCTSV
SCHEMBL4041957 0.84 CTSK (0.42) CTSKMC4RMC5RMC3RHPGDS

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 2/4885MC4R 3708/4885MC5R 2122/4885

“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.