SCHEMBL4038859

SCHEMBL4038859

CC(C)CC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.53
CTSS P25774 5/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.41
MAPK14 Q16539 1/20 0.40
KMT2A Q03164 1/20 0.38
CTSL P07711 5/20 0.38
CCR1 P32246 1/20 0.38
CTSB P07858 1/20 0.38
CNR2 P34972 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL4043681 0.94 CTSK (0.52) CTSKCTSSLMNAALDH1A1PKM
SCHEMBL4051552 0.93 CTSK (0.58) CTSKCTSSALDH1A1KMT2ACTSL
SCHEMBL4045232 0.92 CTSK (0.44) CTSKCTSSLMNAALDH1A1PKM
SCHEMBL4045366 0.92 CTSK (0.50) CTSKCTSSLMNAALDH1A1PKM
SCHEMBL4041707 0.91 CTSS (0.43) CTSKCTSSLMNAALDH1A1PKM
SCHEMBL4046358 0.91 CTSK (0.54) CTSKCTSSALDH1A1KMT2ACTSL
SCHEMBL4043237 0.91 CTSK (0.51) CTSKCTSSLMNAALDH1A1PKM
SCHEMBL4042607 0.91 CTSK (0.53) CTSKCTSSLMNAALDH1A1PKM
SCHEMBL4039586 0.90 CTSK (0.65) CTSKCTSSLMNAALDH1A1PKM
SCHEMBL6209883 0.89 CTSK (0.50) CTSKCTSSCTSLCTSB

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 5 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-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2009024592-A1 PROCESSING OF LITHOGRAPHIC PRINTING PLATES WITH A DEVELOPER SOLUTION CONTAINING A HYDROPHILIC POLYMER EASTMAN KODAK COMPANY (US) 2009-02-26 WO 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 CTSK 2/4885CTSS 3/4885LMNA 3686/4885

“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.