SCHEMBL4039557

SCHEMBL4039557

CCCC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.42
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 2/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
PDE2A O00408 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR1 P32246 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
CTSL P07711 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
SCHEMBL4043237 0.93 CTSK (0.51) CTSKTLR7LMNAEPHX2ALDH1A1
SCHEMBL4042420 0.92 CTSK (0.46) CTSKTLR7LMNAALDH1A1PKM
SCHEMBL4044041 0.92 CTSK (0.43) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4040898 0.91 RAB9A (0.42) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4045232 0.91 CTSK (0.44) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4053232 0.90 CTSK (0.48) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4040698 0.90 CTSK (0.44) CTSKPREPFAPCTSLCTSB
SCHEMBL4039999 0.90 CTSK (0.54) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4041378 0.90 CTSK (0.44) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4040706 0.88 CTSK (0.45) CTSKLMNAALDH1A1PKMSLC5A7

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 2/4885TLR7 1054/4885LMNA 3686/4885

“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.