SCHEMBL4038812

SCHEMBL4038812

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.54
CTSS P25774 3/20 0.42
CCR1 P32246 3/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
P2RY12 Q9H244 1/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
HSD11B1 P28845 2/20 0.33
TRPV4 Q9HBA0 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
SCHEMBL4042617 0.93 CTSK (0.46) CTSKCTSSCCR1CTSVCTSL
SCHEMBL6274440 0.92 CTSK (0.48) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4045150 0.92 CTSK (0.44) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4037036 0.92 CTSK (0.54) CTSKCTSSCTSVCTSL
SCHEMBL4040650 0.92 CTSK (0.65) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4039713 0.91 CTSK (0.45) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4040752 0.90 CTSK (0.54) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4044103 0.90 CTSK (0.42) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4043368 0.90 CTSK (0.42) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4045239 0.89 CTSK (0.42) CTSKCTSSCCR1CTSVCTSL

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 8 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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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 3/4885CCR1 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.