SCHEMBL4039586

SCHEMBL4039586

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.65
CTSS P25774 5/20 0.51
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
CTSL P07711 4/20 0.38
CTSB P07858 1/20 0.38
CCR1 P32246 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4041699 0.93 CTSK (0.56) CTSKCTSSALDH1A1KMT2ACTSL
SCHEMBL4051552 0.93 CTSK (0.58) CTSKCTSSALDH1A1KMT2ACTSL
SCHEMBL4046358 0.93 CTSK (0.54) CTSKCTSSALDH1A1KMT2ACTSL
SCHEMBL4039999 0.92 CTSK (0.54) CTSKCTSSALDH1A1SMN1; SMN2KMT2A
SCHEMBL4040241 0.92 CTSK (0.54) CTSKCTSSALDH1A1SMN1; SMN2KMT2A
SCHEMBL4042607 0.92 CTSK (0.53) CTSKCTSSALDH1A1KMT2ALMNA
SCHEMBL4043273 0.91 CTSK (0.65) CTSKCTSSALDH1A1KMT2ACTSL
SCHEMBL4043681 0.91 CTSK (0.52) CTSKCTSSALDH1A1KMT2AMEN1
SCHEMBL4043052 0.90 CTSK (0.52) CTSKCTSSALDH1A1SMN1; SMN2KMT2A
SCHEMBL4038859 0.90 CTSK (0.53) CTSKCTSSALDH1A1KMT2ALMNA

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 4 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

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 3/4885ALDH1A1 4151/4885

“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.