SCHEMBL4039714

SCHEMBL4039714

COc1ccc(CC(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccc[n+]2[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
CTSS P25774 1/20 0.40
CA2 P00918 1/20 0.39
USP30 Q70CQ3 5/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACE P12821 2/20 0.35
NPC1 O15118 1/20 0.35
EPHX2 P34913 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
F2 P00734 2/20 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
SCHEMBL4040998 0.92 CTSK (0.52) CTSKCTSSCA2MEN1KMT2A
SCHEMBL4045568 0.92 CTSK (0.52) CTSKCTSSCA2USP30MEN1
SCHEMBL4048167 0.89 CTSK (0.50) CTSKCTSSCA2USP30MEN1
SCHEMBL4040854 0.89 CTSK (0.52) CTSKCTSS
SCHEMBL4045332 0.88 CTSK (0.43) CTSKCTSSCA2MEN1KMT2A
SCHEMBL4046758 0.88 CTSK (0.65) CTSKCTSSCA2
SCHEMBL4047934 0.88 CTSK (0.51) CTSKCTSSMEN1KMT2AACE
SCHEMBL4040036 0.87 CTSK (0.54) CTSKCTSSUSP30
SCHEMBL4048667 0.87 CTSK (0.54) CTSKCTSS
SCHEMBL4039133 0.86 CTSK (0.51) CTSKCTSSUSP30MEN1KMT2A

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 2/4885CTSS 3/4885CA2 171/4885

“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.