SCHEMBL4045351

SCHEMBL4045351

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.44
PREP P48147 2/20 0.39
FAP Q12884 2/20 0.39
CCR1 P32246 4/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34
ACE P12821 1/20 0.34
ACE2 Q9BYF1 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
SCHEMBL4043416 0.93 CTSK (0.54) CTSKPREPFAPCCR1MEN1
SCHEMBL4039917 0.93 CTSK (0.45) CTSKPREPFAPCCR1CTSV
SCHEMBL4039168 0.92 CTSK (0.43) CTSKPREPFAPCCR1MEN1
SCHEMBL4042221 0.92 CTSK (0.46) CTSKPREPFAPCCR1CTSV
SCHEMBL4041462 0.92 CTSK (0.54) CTSKPREPFAPCCR1CTSV
SCHEMBL4043898 0.92 CTSK (0.54) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4046421 0.91 CTSK (0.42) CTSKPREPFAPCCR1CTSV
SCHEMBL4040693 0.91 CTSK (0.44) CTSKPREPFAPCCR1CTSV
SCHEMBL4045138 0.91 CTSK (0.42) CTSKPREPFAPCCR1CTSV
SCHEMBL4043918 0.90 CTSK (0.41) CTSKPREPFAPCCR1MEN1

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 2/4885PREP 1823/4885FAP 3455/4885

“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.