SCHEMBL4040598

SCHEMBL4040598

CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NN(C[C@H]1C2OC2CN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
CBX4 O00257 3/20 0.40
CBX7 O95931 3/20 0.40
CDYL2 Q8N8U2 3/20 0.40
CBX8 Q9HC52 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CBX6 O95503 1/20 0.39
CBX2 Q14781 1/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CTSS P25774 3/20 0.39
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL4039918 1.00 CTSK (0.40) CTSKCBX4CBX7CDYL2CBX8
SCHEMBL8347480 0.92 MAPT (0.42) CTSKMAPTMEN1KMT2APOLB
SCHEMBL4046341 0.92 MAPT (0.42) CTSKMAPTMEN1KMT2APOLB
SCHEMBL4043450 0.92 MAPT (0.42) CTSKMAPTMEN1KMT2APOLB
SCHEMBL8350293 0.89 CTSK (0.47) CTSKCBX4CBX7CDYL2CBX8
SCHEMBL4040623 0.89 CTSK (0.47) CTSKCBX4CBX7CDYL2CBX8
SCHEMBL4040629 0.89 CTSK (0.47) CTSKCBX4CBX7CDYL2CBX8
SCHEMBL4043831 0.87 MAPT (0.36) CTSKMAPTMEN1KMT2APOLB
SCHEMBL4224247 0.85 CTSK (0.41) CTSKCBX4CBX7CDYL2CBX8
SCHEMBL6209649 0.82 MAPT (0.43) CTSKMAPTMEN1KMT2APOLB

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 4 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 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 2/4885CBX4 2841/4885CBX7 995/4885

“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.