SCHEMBL4043416

SCHEMBL4043416

CCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.54
CTSS P25774 4/20 0.42
PREP P48147 3/20 0.39
FAP Q12884 3/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CCR1 P32246 2/20 0.36
AGTR1 P30556 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 3/20 0.34
CTSV O60911 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
USP30 Q70CQ3 1/20 0.34
MC4R P32245 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
SCHEMBL4042221 0.94 CTSK (0.46) CTSKCTSSPREPFAPCCR1
SCHEMBL4045351 0.93 CTSK (0.44) CTSKCTSSPREPFAPCCR1
SCHEMBL4044816 0.92 CTSK (0.65) CTSKCTSSPLA2G1BATG4BCCR1
SCHEMBL4040427 0.91 CTSK (0.54) CTSKCTSSPLA2G1BATG4BAGTR1
SCHEMBL4039917 0.91 CTSK (0.45) CTSKCTSSPREPFAPCCR1
SCHEMBL4041462 0.91 CTSK (0.54) CTSKCTSSPREPFAPCCR1
SCHEMBL4039168 0.91 CTSK (0.43) CTSKPREPFAPCCR1ALDH1A1
SCHEMBL4040693 0.90 CTSK (0.44) CTSKCTSSPREPFAPCCR1
SCHEMBL4046421 0.90 CTSK (0.42) CTSKCTSSPREPFAPCCR1
SCHEMBL4043290 0.90 CTSK (0.42) CTSKCTSSPREPFAPCCR1

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 3/4885PREP 1823/4885

“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.