SCHEMBL4040062

SCHEMBL4040062

CCCC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CTSS P25774 2/20 0.37
CTSB P07858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HPGDS O60760 1/20 0.36
DRD2 P14416 6/20 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
SCHEMBL4040890 0.92 CTSK (0.49) CTSKCTSSCTSBKDM4EMEN1
SCHEMBL4042915 0.92 CTSS (0.40) CTSKCTSSCTSBKDM4EMEN1
SCHEMBL6274440 0.91 CTSK (0.48) CTSKCTSSMEN1KMT2APREP
SCHEMBL4042759 0.91 CTSK (0.39) CTSKCTSSCTSBKDM4EMEN1
SCHEMBL4041723 0.89 CTSK (0.41) CTSKSLC6A2SLC6A4SLC6A3CTSS
SCHEMBL4045150 0.88 CTSK (0.44) CTSKCTSSMEN1KMT2ALMNA
SCHEMBL4042303 0.88 CTSK (0.40) CTSKSLC6A2SLC6A4SLC6A3CTSS
SCHEMBL4042617 0.88 CTSK (0.46) CTSKCTSSP2RY12CCR1CTSV
SCHEMBL4039713 0.87 CTSK (0.45) CTSKCTSSP2RY12CCR1CTSV
SCHEMBL4038812 0.87 CTSK (0.54) CTSKCTSSPREPP2RY12CCR1

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 5 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
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 2/4885SLC6A2 3770/4885SLC6A4 3074/4885

“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.