SCHEMBL4045225

SCHEMBL4045225

CC(=O)NCC(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.73
CTSS P25774 3/20 0.55
CCR1 P32246 1/20 0.38
PSMB9 P28065 1/20 0.37
CTSL P07711 3/20 0.35
CTSV O60911 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4044467 0.91 CTSK (0.60) CTSKCTSSCCR1PSMB9CTSL
SCHEMBL4041814 0.90 CTSK (0.79) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4229906 0.89 CTSK (0.73) CTSKCTSSCCR1PSMB9CTSL
SCHEMBL5941881 0.89 CTSK (0.73) CTSKCTSSCCR1PSMB9CTSL
SCHEMBL4043361 0.89 CTSK (0.58) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4037181 0.89 CTSK (0.73) CTSKCTSSCCR1PSMB9CTSL
SCHEMBL4229902 0.89 CTSK (0.73) CTSKCTSSCCR1PSMB9CTSL
SCHEMBL5941348 0.88 CTSK (0.75) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4217658 0.88 CTSK (0.75) CTSKCTSSCCR1CTSLCTSV
SCHEMBL13909147 0.88 CTSK (0.75) CTSKCTSSCCR1CTSLCTSV

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 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

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 3/4885CCR1 100/4885

“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.