SCHEMBL4044245

SCHEMBL4044245

CC(C)CC(CC(=O)N1CCN(C)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.35
CTSK P43235 3/20 0.34
CALCRL Q16602 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL4043258 0.92 KDM4E (0.39) CTSKKMT2AALDH1A1KDM4ENPSR1
SCHEMBL4044115 0.92 CTSK (0.34) RENCTSKCALCRLKMT2AALDH1A1
SCHEMBL4044024 0.92 REN (0.38) RENCTSKCALCRLKMT2ACTSL
SCHEMBL4039387 0.90 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4040398 0.89 CTSK (0.33) CTSKCALCRLKMT2ACTSLCTSB
SCHEMBL4041508 0.88 CTSK (0.40) CTSKCTSLCTSBCTSS
SCHEMBL4045641 0.87 CTSK (0.32) CTSKCALCRLKMT2ACTSLCTSB
SCHEMBL4043017 0.86 CTSK (0.34) RENCTSKKMT2AMEN1TAAR1
SCHEMBL4038831 0.85 CHRM1 (0.39) REN
SCHEMBL4042416 0.83 CTSK (0.35) RENCTSKCALCRLKMT2AMEN1

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 REN 1289/4885CTSK 2/4885CALCRL 220/4885

“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.