SCHEMBL4040427

SCHEMBL4040427

CC(C)(C)c1ccc(C(=O)NC(CC2CC2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.54
CTSS P25774 8/20 0.42
CTSL P07711 7/20 0.42
CTSV O60911 2/20 0.42
USP30 Q70CQ3 1/20 0.40
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
AGTR1 P30556 1/20 0.35
HTRA1 Q92743 2/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
CTSB P07858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4044816 0.92 CTSK (0.65) CTSKCTSSCTSLCTSVPLA2G1B
SCHEMBL4043416 0.91 CTSK (0.54) CTSKCTSSCTSLCTSVUSP30
SCHEMBL4045247 0.89 CTSK (0.52) CTSKCTSSUSP30PLA2G1BATG4B
SCHEMBL4043711 0.89 CTSS (0.43) CTSKCTSSCTSLCTSVUSP30
SCHEMBL4043276 0.89 CTSK (0.56) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4038989 0.89 CTSK (0.51) CTSKCTSSUSP30PLA2G1BATG4B
SCHEMBL4041322 0.88 CTSK (0.51) CTSKCTSSCTSLCTSVUSP30
SCHEMBL4041845 0.88 CTSK (0.50) CTSKCTSSUSP30HTRA1SMN1; SMN2
SCHEMBL4042368 0.88 CTSK (0.50) CTSKCTSSCTSLUSP30PLA2G1B
SCHEMBL4043653 0.87 CTSK (0.66) CTSKCTSSCTSLCTSVUSP30

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 2/4885CTSS 3/4885CTSL 57/4885

“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.