SCHEMBL4037619

SCHEMBL4037619

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.59
CTSS P25774 3/20 0.48
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.37
DPP4 P27487 4/20 0.36
CACNA1B Q00975 1/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
PPID Q08752 1/20 0.36
PPIG Q13427 1/20 0.36
DPP8 Q6V1X1 1/20 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
SCHEMBL4037717 0.98 CTSK (0.59) CTSKCTSSPOLBCCR1DPP4
SCHEMBL4040559 0.92 CTSK (0.71) CTSKCTSSCCR1DPP4CTSV
SCHEMBL4043402 0.91 CTSK (0.59) CTSKCTSSCTSVCTSL
SCHEMBL5942437 0.90 CTSK (0.70) CTSKCTSSCCR1DPP4CACNA1B
SCHEMBL5942439 0.90 CTSK (0.70) CTSKCTSSCCR1DPP4CACNA1B
SCHEMBL4040567 0.90 CTSK (0.70) CTSKCTSSCCR1DPP4CACNA1B
SCHEMBL4226635 0.90 CTSK (0.70) CTSKCTSSCCR1DPP4CACNA1B
SCHEMBL4226639 0.90 CTSK (0.70) CTSKCTSSCCR1DPP4CACNA1B
SCHEMBL5941483 0.90 CTSK (0.70) CTSKCTSSCCR1DPP4CACNA1B
SCHEMBL4047172 0.89 CTSK (0.70) CTSKCTSSCCR1DPP4CTSV

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 3 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

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 3/4885POLB 3780/4885

“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.