SCHEMBL4045239

SCHEMBL4045239

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.42
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CXCR3 P49682 1/20 0.35
P2RY12 Q9H244 1/20 0.35
CCR1 P32246 2/20 0.34
HSD11B1 P28845 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CTSL P07711 4/20 0.34
CTSS P25774 4/20 0.34
CTSV O60911 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
EPHX2 P34913 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
SCHEMBL4045094 0.92 CTSK (0.51) CTSKMMP1MMP9MMP13CXCR3
SCHEMBL4042617 0.91 CTSK (0.46) CTSKP2RY12CCR1CTSLCTSS
SCHEMBL4044103 0.91 CTSK (0.42) CTSKMMP1MMP9MMP13P2RY12
SCHEMBL4043807 0.91 CTSK (0.41) CTSKP2RY12CCR1CTSLCTSS
SCHEMBL4039142 0.90 CTSK (0.45) CTSKMMP1MMP9MMP13P2RY12
SCHEMBL4038812 0.89 CTSK (0.54) CTSKP2RY12CCR1HSD11B1CTSL
SCHEMBL4045150 0.89 CTSK (0.44) CTSKP2RY12CCR1CTSLCTSS
SCHEMBL6274440 0.89 CTSK (0.48) CTSKP2RY12CCR1CTSLCTSS
SCHEMBL4043946 0.89 CTSK (0.43) CTSKMMP13CXCR3CCR1CHRM2
SCHEMBL4037665 0.88 LMNA (0.44) CTSKCTSLCTSSELOVL6

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-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 2/4885MMP1 79/4885MMP9 48/4885

“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.