SCHEMBL4043246

SCHEMBL4043246

CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CTSK P43235 7/20 0.35
CTSL P07711 4/20 0.35
CTSS P25774 4/20 0.35
REN P00797 5/20 0.35
PIK3CD O00329 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4041223 0.92 CTSK (0.35) CTSKCTSLCTSSRENTMEM97
SCHEMBL4043017 0.92 CTSK (0.34) CTSKCTSLCTSSRENMMP1
SCHEMBL4043087 0.91 KDM4E (0.39) CTSKALDH1A1
SCHEMBL4041733 0.91 CTSK (0.34) CTSKCTSLCTSSALDH1A1
SCHEMBL4043841 0.89 CTSS (0.40) CTSKCTSLCTSSREN
SCHEMBL4042797 0.88 CTSK (0.45) POLBCTSKCTSLCTSSREN
SCHEMBL4043600 0.88 ALDH1A1 (0.39) POLBALDH1A1
SCHEMBL4040795 0.88 CTSK (0.33) CTSKCTSLCTSS
SCHEMBL4041880 0.87 CTSK (0.42) POLBCTSKCTSLCTSSREN
SCHEMBL4044024 0.86 REN (0.38) POLBCTSKCTSLCTSSREN

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 POLB 3780/4885CTSK 2/4885CTSL 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.