SCHEMBL4041035

SCHEMBL4041035

CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)C(C)NC(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.64
CTSS P25774 3/20 0.43
CCR1 P32246 2/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
ACE2 Q9BYF1 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL4038905 0.96 CTSK (0.67) CTSKCTSSCCR1ALDH1A1TSHR
SCHEMBL4045530 0.93 CTSK (0.64) CTSKCTSSCCR1ALDH1A1TSHR
SCHEMBL4038816 0.92 CTSK (0.62) CTSKCTSSCCR1CTSLACE2
SCHEMBL4039033 0.92 CTSK (0.62) CTSKCTSSCCR1ALDH1A1TSHR
SCHEMBL4044575 0.92 CTSK (0.62) CTSKCTSSCCR1CTSLACE2
SCHEMBL4212603 0.92 CTSK (0.76) CTSKCTSSCCR1ALDH1A1CTSV
SCHEMBL4043741 0.92 CTSK (0.76) CTSKCTSSCCR1ALDH1A1CTSV
SCHEMBL5941520 0.92 CTSK (0.76) CTSKCTSSCCR1ALDH1A1CTSV
SCHEMBL4218935 0.92 CTSK (0.76) CTSKCTSSCCR1ALDH1A1CTSV
SCHEMBL4037952 0.90 CTSK (0.60) 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 3/4885CCR1 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.