SCHEMBL4040559

SCHEMBL4040559

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCCN1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.71
CTSS P25774 3/20 0.55
DPP4 P27487 5/20 0.37
DPP8 Q6V1X1 1/20 0.37
CCR1 P32246 1/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36

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
SCHEMBL4047172 0.98 CTSK (0.70) CTSKCTSSDPP4CCR1CTSV
SCHEMBL4037619 0.92 CTSK (0.59) CTSKCTSSDPP4DPP8CCR1
SCHEMBL4043402 0.91 CTSK (0.59) CTSKCTSSCTSVCTSL
SCHEMBL4226639 0.90 CTSK (0.70) CTSKCTSSDPP4DPP8CCR1
SCHEMBL5942437 0.90 CTSK (0.70) CTSKCTSSDPP4DPP8CCR1
SCHEMBL5941483 0.90 CTSK (0.70) CTSKCTSSDPP4DPP8CCR1
SCHEMBL4040567 0.90 CTSK (0.70) CTSKCTSSDPP4DPP8CCR1
SCHEMBL5942439 0.90 CTSK (0.70) CTSKCTSSDPP4DPP8CCR1
SCHEMBL4226635 0.90 CTSK (0.70) CTSKCTSSDPP4DPP8CCR1
SCHEMBL4037717 0.89 CTSK (0.59) CTSKCTSSDPP4CCR1CTSV

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-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1140908-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2009-03-04 EP disclosed
EP-1140907-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2007-07-11 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 3/4885DPP4 3448/4885

“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.