SCHEMBL4042540

SCHEMBL4042540

CCCC(OC)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.70
CTSS P25774 1/20 0.53
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
CCR1 P32246 1/20 0.36
CBX4 O00257 2/20 0.36
CBX7 O95931 2/20 0.36
CDYL2 Q8N8U2 2/20 0.36
CBX8 Q9HC52 2/20 0.36

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
SCHEMBL4039793 0.94 CTSK (0.71) CTSKCTSSCCR1CBX4CBX7
SCHEMBL4040161 0.93 CTSK (0.74) CTSKCTSSTAS1R3TAS1R1CCR1
SCHEMBL4043218 0.91 CTSK (0.57) CTSKCTSSTAS1R3TAS1R1CCR1
SCHEMBL4037026 0.91 CTSK (0.71) CTSKCTSSTAS1R3TAS1R1CCR1
SCHEMBL4041016 0.90 CTSK (0.56) CTSKCTSS
SCHEMBL4044089 0.90 CTSK (0.70) CTSKCTSSTAS1R3TAS1R1CCR1
SCHEMBL4044131 0.89 CTSK (0.73) CTSKCTSSCCR1
SCHEMBL4041255 0.89 CTSK (0.60) CTSKCTSSTAS1R3TAS1R1CCR1
SCHEMBL4038286 0.89 CTSK (0.72) CTSKCTSSCCR1
SCHEMBL4046382 0.89 CTSK (0.72) CTSKCTSSCCR1

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 3/4885TAS1R3 2219/4885

“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.