SCHEMBL4039844

SCHEMBL4039844

CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NN(C[C@@H]1C=CCN1C(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.48
CTSS P25774 4/20 0.47
CTSL P07711 6/20 0.39
CTSB P07858 3/20 0.38
CBX4 O00257 3/20 0.37
CBX7 O95931 3/20 0.37
CDYL2 Q8N8U2 3/20 0.37
CBX8 Q9HC52 3/20 0.37
CBX6 O95503 1/20 0.36
CBX2 Q14781 1/20 0.36
USP30 Q70CQ3 1/20 0.36
UTS2R Q9UKP6 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
SCHEMBL4039831 1.00 CTSK (0.48) CTSKCTSSCTSLCTSBCBX4
SCHEMBL4224247 0.89 CTSK (0.41) CTSKCTSSCBX4CBX7CDYL2
SCHEMBL4047726 0.84 CTSK (0.36) CTSKCTSSCTSL
SCHEMBL4047732 0.84 CTSK (0.36) CTSKCTSSCTSL
SCHEMBL4042560 0.84 LARS1 (0.34) CTSKCTSS
SCHEMBL4042556 0.84 LARS1 (0.34) CTSKCTSS
SCHEMBL4040629 0.84 CTSK (0.47) CTSKCTSSCTSLCTSBCBX4
SCHEMBL4040623 0.84 CTSK (0.47) CTSKCTSSCTSLCTSBCBX4
SCHEMBL8350293 0.84 CTSK (0.47) CTSKCTSSCTSLCTSBCBX4
SCHEMBL4224431 0.81 MAPT (0.41) CTSKCTSSCTSL

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 disclosed
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
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 3/4885CTSL 57/4885

“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.