SCHEMBL4045150

SCHEMBL4045150

CCCC(NC(=O)c1ccc(C)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.44
P2RY12 Q9H244 1/20 0.37
CCR1 P32246 3/20 0.37
ACE P12821 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
CTSS P25774 3/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6274440 0.94 CTSK (0.48) CTSKP2RY12CCR1CTSSCTSV
SCHEMBL4038812 0.92 CTSK (0.54) CTSKP2RY12CCR1CTSSCTSV
SCHEMBL4039713 0.92 CTSK (0.45) CTSKP2RY12CCR1CTSSCTSV
SCHEMBL4044103 0.92 CTSK (0.42) CTSKP2RY12CCR1CTSSCTSV
SCHEMBL4042617 0.92 CTSK (0.46) CTSKP2RY12CCR1CTSSCTSV
SCHEMBL4040752 0.92 CTSK (0.54) CTSKP2RY12CCR1CTSSCTSV
SCHEMBL4038667 0.91 CTSK (0.54) CTSKCCR1ACEACE2CTSS
SCHEMBL4043368 0.91 CTSK (0.42) CTSKP2RY12CCR1CTSSCTSV
SCHEMBL4039142 0.90 CTSK (0.45) CTSKP2RY12CCR1CTSSCTSV
SCHEMBL4043807 0.90 CTSK (0.41) CTSKP2RY12CCR1CTSSCTSV

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 2/4885P2RY12 2329/4885CCR1 100/4885

“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.