SCHEMBL4044726

SCHEMBL4044726

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
DPP4 P27487 1/20 0.33
CTSK P43235 2/20 0.32
XIAP P98170 1/20 0.31
OPRM1 P35372 1/20 0.31
LMNA P02545 1/20 0.31
CNR2 P34972 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6211044 0.91 CTSK (0.33) PARP1DPP4CTSKXIAPLMNA
SCHEMBL4041823 0.87 CTSK (0.39) CTSK
SCHEMBL4046219 0.85 PARP1 (0.35) PARP1F2F10PRSS1DPP4
SCHEMBL4039452 0.85 CTSK (0.32) CTSK
SCHEMBL4042160 0.85 PARP1 (0.34) PARP1F2F10PRSS1DPP4
SCHEMBL4044949 0.84 SMYD3 (0.38) ALDH1A1
SCHEMBL4049235 0.82 TSHR (0.38) CTSKALDH1A1L3MBTL1KMT2A
SCHEMBL4038909 0.82 STS (0.35) PARP1F2F10PRSS1ALDH1A1
SCHEMBL6209846 0.81 DPP4 (0.35) PARP1F2F10PRSS1DPP4
SCHEMBL4044728 0.81 DPP4 (0.40) PARP1DPP4CTSKCNR2KMT2A

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 PARP1 4400/4885F2 2041/4885F10 1200/4885

“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.