SCHEMBL4043017

SCHEMBL4043017

CC(C)CC(CC(=O)N1CCN(C)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.34
REN P00797 4/20 0.34
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KDR P35968 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
DPP8 Q6V1X1 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 2/20 0.31
CTSS P25774 2/20 0.31
CTSB P07858 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
SCHEMBL4043087 0.92 KDM4E (0.39) CTSKALDH1A1KDM4ENPSR1GAA
SCHEMBL4043246 0.92 POLB (0.36) CTSKRENALDH1A1MMP1MMP3
SCHEMBL4041733 0.92 CTSK (0.34) CTSKDPP4DPP9ALDH1A1KDM4E
SCHEMBL4043600 0.90 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL4040795 0.89 CTSK (0.33) CTSKCTSLCTSSCTSB
SCHEMBL4041508 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4037385 0.87 CTSK (0.32) CTSKCTSLCTSSCTSB
SCHEMBL4042637 0.86 CTSK (0.43) CTSKRENDPP4DPP9ALDH1A1
SCHEMBL4044245 0.86 REN (0.35) CTSKRENKMT2AMEN1TAAR1
SCHEMBL4040388 0.85 CTSK (0.35) CTSKRENDPP4ALDH1A1MMP1

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 2/4885REN 1289/4885DPP4 3448/4885

“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.