SCHEMBL4042758

SCHEMBL4042758

CC(C)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.52
CTSS P25774 6/20 0.41
HPGDS O60760 2/20 0.41
ACKR3 P25106 2/20 0.37
CTSB P07858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 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
SCHEMBL4038861 0.98 CTSK (0.53) CTSKCTSSHPGDSACKR3CTSB
SCHEMBL4042775 0.89 CTSK (0.55) CTSKCTSSHPGDSACKR3CTSB
SCHEMBL4042733 0.89 CTSK (0.54) CTSKCTSSHPGDSACKR3CTSB
SCHEMBL4043033 0.88 CTSK (0.48) CTSKCTSSCTSBMEN1KMT2A
SCHEMBL4040232 0.86 CTSK (0.48) CTSKCTSSCTSBMEN1KMT2A
SCHEMBL4041291 0.86 CTSK (0.51) CTSKCTSSHPGDSACKR3CTSB
SCHEMBL4046424 0.86 CTSK (0.54) CTSKCTSSHPGDSACKR3CTSB
SCHEMBL4042777 0.85 CTSK (0.57) CTSKCTSSHPGDSACKR3CTSB
SCHEMBL4042736 0.85 CTSK (0.52) CTSKCTSSHPGDSACKR3CTSB
SCHEMBL4049626 0.85 CTSK (0.53) CTSKCTSSHPGDSACKR3CTSB

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-1885695-B8 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-08-12 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1885695-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2008-02-13 EP disclosed
WO-2007000550-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-01-04 WO 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 3/4885HPGDS 603/4885

“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.