SCHEMBL5941978

SCHEMBL5941978

CC(C)C[C@@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1)N(C)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.72
▸ CTSS P25774 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 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
SCHEMBL5941982 1.00 CTSK (0.72) CTSKCTSSALDH1A1KDM4EGAA
SCHEMBL13909124 0.95 CTSK (0.63) CTSKCTSSALDH1A1CTSLCTSB
SCHEMBL4041217 0.83 CTSK (1.00) CTSKCTSSALDH1A1KDM4EGAA
SCHEMBL4219738 0.83 CTSK (1.00) CTSKCTSSALDH1A1KDM4EGAA
SCHEMBL5941346 0.83 CTSK (1.00) CTSKCTSSALDH1A1KDM4EGAA
SCHEMBL4219737 0.83 CTSK (1.00) CTSKCTSSALDH1A1KDM4EGAA
SCHEMBL5942856 0.83 CTSK (0.70) CTSKCTSSALDH1A1KDM4EGAA
SCHEMBL8349856 0.81 CTSK (0.62) CTSKALDH1A1KDM4EGAAHPGD
SCHEMBL4048380 0.78 CTSK (0.64) CTSKCTSS
SCHEMBL5941514 0.78 CTSK (0.64) CTSKCTSS

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 2 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 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 3/4885ALDH1A1 4151/4885

“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.

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