SCHEMBL4044060

SCHEMBL4044060

CC(C)(C)c1ccc(C(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)C(=O)c3ccccn3)CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CTSK P43235 7/20 0.39
AGTR1 P30556 1/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNF P01375 1/20 0.34
KLF5 Q13887 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
CTSL P07711 6/20 0.34
CTSS P25774 5/20 0.34
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL4045671 0.89 RIPK1 (0.33) CTSKLMNAALDH1A1CTSLCTSS
SCHEMBL4047319 0.89 CTSK (0.42) PLA2G1BATG4BCTSKLMNAALDH1A1
SCHEMBL4047880 0.87 CTSK (0.48) PLA2G1BATG4BCTSKAGTR1LMNA
SCHEMBL4043534 0.87 CTSK (0.39) CTSKLMNAALDH1A1HTTNPC1
SCHEMBL4042382 0.87 HDAC1 (0.35) CTSKLMNAALDH1A1SMN1; SMN2CTSL
SCHEMBL4041121 0.86 ALDH1A1 (0.40) PLA2G1BATG4BCTSKLMNAALDH1A1
SCHEMBL6213000 0.82 NPC1 (0.38) CTSKLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4038260 0.82 CTSK (0.38) CTSKLMNAALDH1A1HTTNPC1
SCHEMBL4044013 0.80 CTSK (0.39) CTSKLMNAALDH1A1GLAPKM
SCHEMBL4041130 0.80 CTSK (0.39) CTSKLMNAALDH1A1GLAPKM

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 6 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
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 PLA2G1B 2478/4885ATG4B 2228/4885CTSK 2/4885

“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.