SCHEMBL4040456

SCHEMBL4040456

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.39
HPGDS O60760 1/20 0.37
NAMPT P43490 1/20 0.35
CTSS P25774 3/20 0.35
CTSB P07858 1/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.34
PREP P48147 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
SCHEMBL4050314 0.92 CTSS (0.39) CTSKHPGDSNAMPTCTSSCTSB
SCHEMBL4041389 0.92 CTSK (0.48) CTSKCTSSCTSBCTSLHSD17B10
SCHEMBL4042303 0.91 CTSK (0.40) CTSKHPGDSNAMPTCTSSCTSB
SCHEMBL4041118 0.90 CTSK (0.39) CTSKHPGDSCTSSCTSBMC4R
SCHEMBL4043182 0.90 CTSK (0.50) CTSKNAMPTCTSSMC4RMC5R
SCHEMBL4041209 0.90 HPGDS (0.39) CTSKHPGDSCTSSCTSBMC4R
SCHEMBL4039009 0.89 CTSK (0.41) CTSKNAMPTCTSSMC4RMC5R
SCHEMBL4042759 0.88 CTSK (0.39) CTSKHPGDSCTSSCTSBHTT
SCHEMBL4040158 0.87 CTSK (0.41) CTSKHPGDSCTSSCTSBCTSL
SCHEMBL4041957 0.85 CTSK (0.42) CTSKHPGDSCTSSCTSBMC4R

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 CTSK 2/4885HPGDS 603/4885NAMPT 1027/4885

“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.