SCHEMBL4042226

SCHEMBL4042226

CC(C)(C)c1ccc(C(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.61
CTSS P25774 5/20 0.47
USP30 Q70CQ3 2/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CTSL P07711 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSV O60911 2/20 0.36
AGTR1 P30556 1/20 0.35
AURKA O14965 1/20 0.35
ADAM17 P78536 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
SCHEMBL4043220 0.90 CTSK (0.48) CTSKCTSSUSP30CTSLCTSV
SCHEMBL4225431 0.90 CTSK (0.77) CTSKCTSSUSP30CTSLMEN1
SCHEMBL4225428 0.90 CTSK (0.77) CTSKCTSSUSP30CTSLMEN1
SCHEMBL4225427 0.90 CTSK (0.77) CTSKCTSSUSP30CTSLMEN1
SCHEMBL5942079 0.90 CTSK (0.77) CTSKCTSSUSP30CTSLMEN1
SCHEMBL4042748 0.89 CTSK (0.49) CTSKCTSSUSP30CTSLCTSV
SCHEMBL4041322 0.88 CTSK (0.51) CTSKCTSSUSP30PLA2G1BATG4B
SCHEMBL5941513 0.88 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4216273 0.88 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4038823 0.88 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL

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-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

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 3/4885USP30 2688/4885

“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.