SCHEMBL4043541

SCHEMBL4043541

CC(C)(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
CTSK P43235 3/20 0.34
CTSS P25774 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
CTSL P07711 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
SCHEMBL4043526 0.91 KMT2A (0.35) ALDH1A1CTSKL3MBTL1POLBRAB9A
SCHEMBL3946036 0.88 CTSS (0.41) CTSKCTSSCTSL
SCHEMBL4041828 0.88 CTSK (0.35) ALDH1A1CTSKCTSSL3MBTL1NPSR1
SCHEMBL4046534 0.87 ALDH1A1 (0.35) ALDH1A1CTSKCTSSTSHRGAA
SCHEMBL4230007 0.84 CTSK (0.32) CTSKCTSSMEN1KMT2A
SCHEMBL4038306 0.83 CTSK (0.45) CTSKCTSSCTSL
SCHEMBL4039401 0.83 ALDH1A1 (0.37) ALDH1A1CTSKRAB9ASMN1; SMN2TSHR
SCHEMBL4041865 0.82 ALDH1A1 (0.34) ALDH1A1CTSKRAB9ASMN1; SMN2NPC1
SCHEMBL4042824 0.81 KDM4E (0.40) ALDH1A1CTSKNPSR1POLBRAB9A
SCHEMBL4042416 0.79 CTSK (0.35) ALDH1A1CTSKCTSSNPC1MEN1

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 ALDH1A1 4151/4885CTSK 2/4885CTSS 3/4885

“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.