SCHEMBL4041428

SCHEMBL4041428

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.72
CTSS P25774 1/20 0.54
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CCR1 P32246 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AIMP2 Q13155 1/20 0.37

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
SCHEMBL4041058 0.92 CTSK (0.75) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4041659 0.92 CTSK (0.74) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4044098 0.91 CTSK (0.73) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4043396 0.91 CTSK (0.59) CTSKCTSSCCR1
SCHEMBL4043489 0.91 CTSK (0.73) CTSKCTSSCCR1
SCHEMBL4037597 0.91 CTSK (0.59) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4042177 0.90 CTSK (0.58) CTSKCTSSCCR1
SCHEMBL5942373 0.89 CTSK (0.72) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4042594 0.89 CTSK (0.72) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4219209 0.89 CTSK (0.72) CTSKCTSSCCR1MEN1KMT2A

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 3/4885RAB9A 858/4885

“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.