SCHEMBL4044103

SCHEMBL4044103

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.42
KDM1A O60341 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MMP3 P08254 2/20 0.38
MMP1 P03956 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
P2RY12 Q9H244 1/20 0.36
CCR1 P32246 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CA2 P00918 1/20 0.36
CTSL P07711 3/20 0.35
CTSS P25774 3/20 0.35
CTSV O60911 2/20 0.35
GAA P10253 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
SCHEMBL4039142 0.93 CTSK (0.45) CTSKKDM1AMMP3MMP1MMP9
SCHEMBL4043807 0.92 CTSK (0.41) CTSKP2RY12CCR1CTSLCTSS
SCHEMBL4042967 0.92 CTSK (0.52) CTSKMMP3MEN1KMT2ACA2
SCHEMBL6274440 0.92 CTSK (0.48) CTSKKDM1AP2RY12CCR1MEN1
SCHEMBL4045150 0.92 CTSK (0.44) CTSKP2RY12CCR1MEN1KMT2A
SCHEMBL4045239 0.91 CTSK (0.42) CTSKMMP1MMP9MMP13P2RY12
SCHEMBL4039713 0.90 CTSK (0.45) CTSKP2RY12CCR1CTSLCTSS
SCHEMBL4038812 0.90 CTSK (0.54) CTSKP2RY12CCR1CTSLCTSS
SCHEMBL4040752 0.90 CTSK (0.54) CTSKMMP3P2RY12CCR1CA2
SCHEMBL4042617 0.90 CTSK (0.46) CTSKKDM1ATAS1R3TAS1R1P2RY12

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 2/4885KDM1A 3980/4885TAS1R3 2219/4885

“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.