SCHEMBL4041209

SCHEMBL4041209

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
CTSK P43235 2/20 0.38
ACE P12821 2/20 0.36
HDAC1 Q13547 4/20 0.36
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
HTR2A P28223 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CHRM4 P08173 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL4042901 0.92 CTSK (0.47) HPGDSCTSKHDAC1CHRNA7CHRNB2
SCHEMBL4043646 0.92 CTSS (0.38) HPGDSCTSKACEHDAC1DRD2
SCHEMBL3947909 0.91 CTSK (0.39) HPGDSCTSKACEHDAC1DRD2
SCHEMBL4042873 0.91 CTSK (0.48) CTSKACEMC4RMC5RMC3R
SCHEMBL4040456 0.90 CTSK (0.39) HPGDSCTSKDRD2DRD4MC4R
SCHEMBL4040930 0.90 ACE (0.40) CTSKACEMC4RMC5RMC3R
SCHEMBL4041118 0.89 CTSK (0.39) HPGDSCTSKACEHDAC1DRD2
SCHEMBL4040459 0.87 CTSK (0.39) HPGDSCTSKHDAC1DRD2DRD4
SCHEMBL4041957 0.87 CTSK (0.42) HPGDSCTSKACEHDAC1DRD2
SCHEMBL4040158 0.84 CTSK (0.41) HPGDSCTSKCTSBCTSS

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 HPGDS 603/4885CTSK 2/4885ACE 3804/4885

“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.