SCHEMBL4041130

SCHEMBL4041130

CC(C)(C)c1ccc(C(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3ccc[n+]([O-])c3)CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.39
CTSL P07711 4/20 0.35
CTSB P07858 4/20 0.35
CTSS P25774 3/20 0.35
HSD11B1 P28845 5/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
EPHX2 P34913 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR9 P51686 1/20 0.33

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
SCHEMBL4045068 0.88 MMP3 (0.36) CTSLCTSBCTSSALDH1A1LMNA
SCHEMBL4044013 0.88 CTSK (0.39) CTSKCTSLCTSBCTSSHSD11B1
SCHEMBL4038260 0.87 CTSK (0.38) CTSKHSD11B1KMT2ASMYD3ALDH1A1
SCHEMBL4044150 0.86 MEN1 (0.37) CTSLCTSBCTSSKMT2AMEN1
SCHEMBL4047319 0.83 CTSK (0.42) CTSKCTSLCTSSSMYD3ALDH1A1
SCHEMBL4043534 0.80 CTSK (0.39) CTSKALDH1A1LMNAHTT
SCHEMBL4044060 0.80 PLA2G1B (0.40) CTSKCTSLCTSSALDH1A1LMNA
SCHEMBL4041121 0.79 ALDH1A1 (0.40) CTSKCTSLCTSSKMT2AMEN1
SCHEMBL4046192 0.79 LMNA (0.40) CTSKKMT2AMEN1SMYD3ALDH1A1
SCHEMBL4040650 0.79 CTSK (0.65) CTSKCTSLCTSS

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 2/4885CTSL 57/4885CTSB 21/4885

“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.